Organoheterocyclic compounds
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Methyl 4,6-O-benzylidene-alpha-D-glucopyranoside, 97%
CAS: 3162-96-7 Molecular Formula: C14H18O6 Molecular Weight (g/mol): 282.292 MDL Number: MFCD00006819 InChI Key: VVSWDMJYIDBTMV-BTZLDLHRSA-N Synonym: 4ar,6s,7r,8r,8as-6-methoxy-2-phenylhexahydropyrano 3,2-d 1,3 dioxine-7,8-diol,methyl 4,6-o-benzylidene-alpha-d-glucopyranoside,methyl 4,6-o-benzylidene-a-d-glucopyranoside,4ar,6s,7r,8r,8as-6-methoxy-2-phenyl-hexahydro-2h-pyrano 3,2-d 1,3 dioxine-7,8-diol,methyl 4,6-o-benzylidenehexopyranoside #,zlchem 511,methyl 4,6-o-benzylidene-,a-d-glucopyranoside,methyl 4,6-o-phenylmethylene-,glucopyranoside, methyl 4,6-o-benzylidene-, .alpha.-d,.alpha.-d-glucopyranoside, methyl 4,6-o-phenylmethylene PubChem CID: 11822086 IUPAC Name: (4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol SMILES: COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)O
| PubChem CID | 11822086 |
|---|---|
| CAS | 3162-96-7 |
| Molecular Weight (g/mol) | 282.292 |
| MDL Number | MFCD00006819 |
| SMILES | COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)O |
| Synonym | 4ar,6s,7r,8r,8as-6-methoxy-2-phenylhexahydropyrano 3,2-d 1,3 dioxine-7,8-diol,methyl 4,6-o-benzylidene-alpha-d-glucopyranoside,methyl 4,6-o-benzylidene-a-d-glucopyranoside,4ar,6s,7r,8r,8as-6-methoxy-2-phenyl-hexahydro-2h-pyrano 3,2-d 1,3 dioxine-7,8-diol,methyl 4,6-o-benzylidenehexopyranoside #,zlchem 511,methyl 4,6-o-benzylidene-,a-d-glucopyranoside,methyl 4,6-o-phenylmethylene-,glucopyranoside, methyl 4,6-o-benzylidene-, .alpha.-d,.alpha.-d-glucopyranoside, methyl 4,6-o-phenylmethylene |
| IUPAC Name | (4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol |
| InChI Key | VVSWDMJYIDBTMV-BTZLDLHRSA-N |
| Molecular Formula | C14H18O6 |
Methyl 2-furoate, 98+%
CAS: 611-13-2 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.111 MDL Number: MFCD00003236 InChI Key: HDJLSECJEQSPKW-UHFFFAOYSA-N Synonym: methyl 2-furoate,methyl pyromucate,methyl 2-furancarboxylate,methyl furoate,2-furancarboxylic acid, methyl ester,2-methoxycarbonyl furan,pyromucic acid methyl ester,methyl 2-furylcarboxylate,2-furoic acid, methyl ester,furoic acid, methyl ester PubChem CID: 11902 IUPAC Name: methyl furan-2-carboxylate SMILES: COC(=O)C1=CC=CO1
| PubChem CID | 11902 |
|---|---|
| CAS | 611-13-2 |
| Molecular Weight (g/mol) | 126.111 |
| MDL Number | MFCD00003236 |
| SMILES | COC(=O)C1=CC=CO1 |
| Synonym | methyl 2-furoate,methyl pyromucate,methyl 2-furancarboxylate,methyl furoate,2-furancarboxylic acid, methyl ester,2-methoxycarbonyl furan,pyromucic acid methyl ester,methyl 2-furylcarboxylate,2-furoic acid, methyl ester,furoic acid, methyl ester |
| IUPAC Name | methyl furan-2-carboxylate |
| InChI Key | HDJLSECJEQSPKW-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
2-Amino-4-(1-naphthyl)thiazole, 97%
CAS: 56503-96-9 Molecular Formula: C13H10N2S Molecular Weight (g/mol): 226.30 MDL Number: MFCD00236016 InChI Key: NBQUWOCIFFHZTM-UHFFFAOYSA-N Synonym: 2-amino-4-1-naphthyl thiazole,4-1-naphthalenyl-2-thiazolamine,4-naphthalen-1-yl-thiazol-2-ylamine,2-thiazolamine, 4-1-naphthalenyl,4-naphthalen-1-yl-1,3-thiazol-2-amine,4-naphthalen-1-yl thiazol-2-amine,4-naphthalen-1-yl-thiazol-2-yl-amine,4-1-naphthyl-1,3-thiazol-2-amine,2-amino-4-alpha-naphthylthiazole,2-amino-4-1-naphthalenyl-1,3-thiazole PubChem CID: 151342 IUPAC Name: 4-naphthalen-1-yl-1,3-thiazol-2-amine SMILES: NC1=NC(=CS1)C1=C2C=CC=CC2=CC=C1
| PubChem CID | 151342 |
|---|---|
| CAS | 56503-96-9 |
| Molecular Weight (g/mol) | 226.30 |
| MDL Number | MFCD00236016 |
| SMILES | NC1=NC(=CS1)C1=C2C=CC=CC2=CC=C1 |
| Synonym | 2-amino-4-1-naphthyl thiazole,4-1-naphthalenyl-2-thiazolamine,4-naphthalen-1-yl-thiazol-2-ylamine,2-thiazolamine, 4-1-naphthalenyl,4-naphthalen-1-yl-1,3-thiazol-2-amine,4-naphthalen-1-yl thiazol-2-amine,4-naphthalen-1-yl-thiazol-2-yl-amine,4-1-naphthyl-1,3-thiazol-2-amine,2-amino-4-alpha-naphthylthiazole,2-amino-4-1-naphthalenyl-1,3-thiazole |
| IUPAC Name | 4-naphthalen-1-yl-1,3-thiazol-2-amine |
| InChI Key | NBQUWOCIFFHZTM-UHFFFAOYSA-N |
| Molecular Formula | C13H10N2S |
Proflavine Hydrochloride, Spectrum™ Chemical
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CAS: 952-23-8 Molecular Formula: C26H26Cl2N6O Molecular Weight (g/mol): 509.44 InChI Key: APOVFGFHTIKDOX-UHFFFAOYSA-N IUPAC Name: dihydrogen bis(acridine-3,6-diamine) hydrate dichloride SMILES: [H+].[H+].O.[Cl-].[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1
| CAS | 952-23-8 |
|---|---|
| Molecular Weight (g/mol) | 509.44 |
| SMILES | [H+].[H+].O.[Cl-].[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1 |
| IUPAC Name | dihydrogen bis(acridine-3,6-diamine) hydrate dichloride |
| InChI Key | APOVFGFHTIKDOX-UHFFFAOYSA-N |
| Molecular Formula | C26H26Cl2N6O |
3-Methylquinoline, 98+%
CAS: 612-58-8 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00014661 InChI Key: DTBDAFLSBDGPEA-UHFFFAOYSA-N Synonym: quinoline, 3-methyl,3-methyl-1-benzazine,3-methyl-quinoline,ccris 2896,unii-1yc9rbw2g0,beta-methylquinoline,1yc9rbw2g0,3-methyl quinoline,pubchem2344,acmc-209mql PubChem CID: 11926 ChEBI: CHEBI:20140 IUPAC Name: 3-methylquinoline SMILES: CC1=CN=C2C=CC=CC2=C1
| PubChem CID | 11926 |
|---|---|
| CAS | 612-58-8 |
| Molecular Weight (g/mol) | 143.19 |
| ChEBI | CHEBI:20140 |
| MDL Number | MFCD00014661 |
| SMILES | CC1=CN=C2C=CC=CC2=C1 |
| Synonym | quinoline, 3-methyl,3-methyl-1-benzazine,3-methyl-quinoline,ccris 2896,unii-1yc9rbw2g0,beta-methylquinoline,1yc9rbw2g0,3-methyl quinoline,pubchem2344,acmc-209mql |
| IUPAC Name | 3-methylquinoline |
| InChI Key | DTBDAFLSBDGPEA-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |
Thermo Scientific Chemicals Atorvastatin calcium trihydrate
CAS: 344423-98-9 Molecular Formula: C66H74CaF2N4O13 Molecular Weight (g/mol): 1209.41 InChI Key: SHZPNDRIDUBNMH-NIJVSVLQSA-L IUPAC Name: calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate SMILES: O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
| CAS | 344423-98-9 |
|---|---|
| Molecular Weight (g/mol) | 1209.41 |
| SMILES | O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 |
| IUPAC Name | calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate |
| InChI Key | SHZPNDRIDUBNMH-NIJVSVLQSA-L |
| Molecular Formula | C66H74CaF2N4O13 |
2-n-Hexylthiophene, 98%
CAS: 18794-77-9 Molecular Formula: C10H16S Molecular Weight (g/mol): 168.30 MDL Number: MFCD00022535 InChI Key: QZVHYFUVMQIGGM-UHFFFAOYSA-N Synonym: thiophene, 2-hexyl,2-n-hexylthiophene,2-hexyl-thiophene,hexylthiophene,thiophene, hexyl,2-hexyl thiophene,2-? hexylthiophene,2-hexylthiophene,ksc179k7d PubChem CID: 87793 IUPAC Name: 2-hexylthiophene SMILES: CCCCCCC1=CC=CS1
| PubChem CID | 87793 |
|---|---|
| CAS | 18794-77-9 |
| Molecular Weight (g/mol) | 168.30 |
| MDL Number | MFCD00022535 |
| SMILES | CCCCCCC1=CC=CS1 |
| Synonym | thiophene, 2-hexyl,2-n-hexylthiophene,2-hexyl-thiophene,hexylthiophene,thiophene, hexyl,2-hexyl thiophene,2-? hexylthiophene,2-hexylthiophene,ksc179k7d |
| IUPAC Name | 2-hexylthiophene |
| InChI Key | QZVHYFUVMQIGGM-UHFFFAOYSA-N |
| Molecular Formula | C10H16S |
2-Amino-5-methylthiazole, 98+%
CAS: 7305-71-7 Molecular Formula: C4H6N2S Molecular Weight (g/mol): 114.166 MDL Number: MFCD00078317 InChI Key: GUABFMPMKJGSBQ-UHFFFAOYSA-N Synonym: 2-amino-5-methylthiazole,5-methylthiazol-2-amine,2-thiazolamine, 5-methyl,2-amino-5-methyl-thiazole,thiazole, 2-amino-5-methyl,5-methyl-2-thiazolamine,5-methyl-2-aminothiazole,unii-7rab78af2p,2-amino-5-methyl thiazole,meloxicam related compound b PubChem CID: 351770 IUPAC Name: 5-methyl-1,3-thiazol-2-amine SMILES: CC1=CN=C(S1)N
| PubChem CID | 351770 |
|---|---|
| CAS | 7305-71-7 |
| Molecular Weight (g/mol) | 114.166 |
| MDL Number | MFCD00078317 |
| SMILES | CC1=CN=C(S1)N |
| Synonym | 2-amino-5-methylthiazole,5-methylthiazol-2-amine,2-thiazolamine, 5-methyl,2-amino-5-methyl-thiazole,thiazole, 2-amino-5-methyl,5-methyl-2-thiazolamine,5-methyl-2-aminothiazole,unii-7rab78af2p,2-amino-5-methyl thiazole,meloxicam related compound b |
| IUPAC Name | 5-methyl-1,3-thiazol-2-amine |
| InChI Key | GUABFMPMKJGSBQ-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2S |
N-Methyl-[1-methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylamine, 90%, Thermo Scientific™
CAS: 912569-73-4 Molecular Formula: C13H14F3N3O Molecular Weight (g/mol): 285.27 MDL Number: MFCD09817546 InChI Key: AJQKRVBDVZVOBK-UHFFFAOYSA-N Synonym: methyl 1-methyl-5-phenoxy-3-trifluoromethyl pyrazol-4-yl methyl amine,n-methyl-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methylamine,n-methyl-1-methyl-5-phenoxy-3-1h-pyrazol-4-yl methylamine,n-methyl-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methylamine,97+%,n-methyl-1-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methanamine PubChem CID: 24229724 IUPAC Name: N-methyl-1-[1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazol-4-yl]methanamine SMILES: CNCC1=C(N(N=C1C(F)(F)F)C)OC2=CC=CC=C2
| PubChem CID | 24229724 |
|---|---|
| CAS | 912569-73-4 |
| Molecular Weight (g/mol) | 285.27 |
| MDL Number | MFCD09817546 |
| SMILES | CNCC1=C(N(N=C1C(F)(F)F)C)OC2=CC=CC=C2 |
| Synonym | methyl 1-methyl-5-phenoxy-3-trifluoromethyl pyrazol-4-yl methyl amine,n-methyl-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methylamine,n-methyl-1-methyl-5-phenoxy-3-1h-pyrazol-4-yl methylamine,n-methyl-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methylamine,97+%,n-methyl-1-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methanamine |
| IUPAC Name | N-methyl-1-[1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazol-4-yl]methanamine |
| InChI Key | AJQKRVBDVZVOBK-UHFFFAOYSA-N |
| Molecular Formula | C13H14F3N3O |
2-Amino-3-ethyl-6-methylpyridine, 97%
CAS: 41995-31-7 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.198 MDL Number: MFCD00130077 InChI Key: OQNDNGDJFBXUID-UHFFFAOYSA-N Synonym: 2-amino-3-ethyl-6-methylpyridine,3-ethyl-6-methyl-2-pyridinamine,3-ethyl-6-methyl-2-pyridylamine,acmc-1aoyl,2-pyridinamine,3-ethyl-6-methyl,3-ethyl-6-methyl pyridin-2-yl amine,3-ethyl-6-methyl-pyridin-2-ylamine PubChem CID: 3016311 IUPAC Name: 3-ethyl-6-methylpyridin-2-amine SMILES: CCC1=C(N=C(C=C1)C)N
| PubChem CID | 3016311 |
|---|---|
| CAS | 41995-31-7 |
| Molecular Weight (g/mol) | 136.198 |
| MDL Number | MFCD00130077 |
| SMILES | CCC1=C(N=C(C=C1)C)N |
| Synonym | 2-amino-3-ethyl-6-methylpyridine,3-ethyl-6-methyl-2-pyridinamine,3-ethyl-6-methyl-2-pyridylamine,acmc-1aoyl,2-pyridinamine,3-ethyl-6-methyl,3-ethyl-6-methyl pyridin-2-yl amine,3-ethyl-6-methyl-pyridin-2-ylamine |
| IUPAC Name | 3-ethyl-6-methylpyridin-2-amine |
| InChI Key | OQNDNGDJFBXUID-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2 |
2-Aminobenzothiazole, 97%
CAS: 136-95-8 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.2 MDL Number: MFCD00005785 InChI Key: UHGULLIUJBCTEF-UHFFFAOYSA-N Synonym: 2-aminobenzothiazole,2-benzothiazolamine,benzo d thiazol-2-amine,benzothiazol-2-ylamine,2-aminobenzthiazole,benzothiazole-2-ylamine,2-iminobenzothiazoline,o-aminobenzothiazole,benzothiazole, 2-amino,2-benzothiazolylamine PubChem CID: 8706 IUPAC Name: 1,3-benzothiazol-2-amine SMILES: C1=CC=C2C(=C1)N=C(S2)N
| PubChem CID | 8706 |
|---|---|
| CAS | 136-95-8 |
| Molecular Weight (g/mol) | 150.2 |
| MDL Number | MFCD00005785 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)N |
| Synonym | 2-aminobenzothiazole,2-benzothiazolamine,benzo d thiazol-2-amine,benzothiazol-2-ylamine,2-aminobenzthiazole,benzothiazole-2-ylamine,2-iminobenzothiazoline,o-aminobenzothiazole,benzothiazole, 2-amino,2-benzothiazolylamine |
| IUPAC Name | 1,3-benzothiazol-2-amine |
| InChI Key | UHGULLIUJBCTEF-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2S |
N-Phenylmaleimide, 98+%
CAS: 941-69-5 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.171 MDL Number: MFCD00005502 InChI Key: HIDBROSJWZYGSZ-UHFFFAOYSA-N Synonym: n-phenylmaleimide,maleanil,maleinanil,maleimidobenzene,1h-pyrrole-2,5-dione, 1-phenyl,1-phenyl-1h-pyrrole-2,5-dione,maleimide, n-phenyl,1-phenyl-2,5-dihydro-1h-pyrrole-2,5-dione,unii-9u9kt462vw,n-fenylimid kyseliny maleinove PubChem CID: 13662 IUPAC Name: 1-phenylpyrrole-2,5-dione SMILES: C1=CC=C(C=C1)N2C(=O)C=CC2=O
| PubChem CID | 13662 |
|---|---|
| CAS | 941-69-5 |
| Molecular Weight (g/mol) | 173.171 |
| MDL Number | MFCD00005502 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C=CC2=O |
| Synonym | n-phenylmaleimide,maleanil,maleinanil,maleimidobenzene,1h-pyrrole-2,5-dione, 1-phenyl,1-phenyl-1h-pyrrole-2,5-dione,maleimide, n-phenyl,1-phenyl-2,5-dihydro-1h-pyrrole-2,5-dione,unii-9u9kt462vw,n-fenylimid kyseliny maleinove |
| IUPAC Name | 1-phenylpyrrole-2,5-dione |
| InChI Key | HIDBROSJWZYGSZ-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO2 |
3-Pyrroline, tech. 85% (remainder pyrrolidine)
CAS: 109-96-6 Molecular Formula: C4H7N Molecular Weight (g/mol): 69.107 MDL Number: MFCD00005213 InChI Key: JVQIKJMSUIMUDI-UHFFFAOYSA-N PubChem CID: 66059 ChEBI: CHEBI:20198 IUPAC Name: 2,5-dihydro-1H-pyrrole SMILES: C1C=CCN1
| PubChem CID | 66059 |
|---|---|
| CAS | 109-96-6 |
| Molecular Weight (g/mol) | 69.107 |
| ChEBI | CHEBI:20198 |
| MDL Number | MFCD00005213 |
| SMILES | C1C=CCN1 |
| IUPAC Name | 2,5-dihydro-1H-pyrrole |
| InChI Key | JVQIKJMSUIMUDI-UHFFFAOYSA-N |
| Molecular Formula | C4H7N |
3-Aminobenzeneboronic acid pinacol ester, 97%
CAS: 210907-84-9 Molecular Formula: C12H18BNO2 Molecular Weight (g/mol): 219.09 MDL Number: MFCD03453668 InChI Key: YMXIIVIQLHYKOT-UHFFFAOYSA-N Synonym: 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminophenylboronic acid pinacol ester,benzenamine, 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-aminophenylboronic acid, pinacol ester,3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminobenzeneboronic acid pinacol ester,3-aminophenylboronic acid, pinacol cyclic ester,3-aminophenylboronicacidpinacolester,apbe,amtb060 PubChem CID: 2734655 IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC(N)=C1
| PubChem CID | 2734655 |
|---|---|
| CAS | 210907-84-9 |
| Molecular Weight (g/mol) | 219.09 |
| MDL Number | MFCD03453668 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CC(N)=C1 |
| Synonym | 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminophenylboronic acid pinacol ester,benzenamine, 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-aminophenylboronic acid, pinacol ester,3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminobenzeneboronic acid pinacol ester,3-aminophenylboronic acid, pinacol cyclic ester,3-aminophenylboronicacidpinacolester,apbe,amtb060 |
| IUPAC Name | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI Key | YMXIIVIQLHYKOT-UHFFFAOYSA-N |
| Molecular Formula | C12H18BNO2 |
3-(1-Methyl-1H-pyrazol-5-yl)benzonitrile, 97%, Thermo Scientific™
CAS: 179055-95-9 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.21 MDL Number: MFCD09702401 InChI Key: NEFOVTAGRMOIIV-UHFFFAOYSA-N PubChem CID: 10511671 IUPAC Name: 3-(2-methylpyrazol-3-yl)benzonitrile SMILES: CN1N=CC=C1C1=CC=CC(=C1)C#N
| PubChem CID | 10511671 |
|---|---|
| CAS | 179055-95-9 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD09702401 |
| SMILES | CN1N=CC=C1C1=CC=CC(=C1)C#N |
| IUPAC Name | 3-(2-methylpyrazol-3-yl)benzonitrile |
| InChI Key | NEFOVTAGRMOIIV-UHFFFAOYSA-N |
| Molecular Formula | C11H9N3 |