N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-[(1-cyclopropyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(1-cyclopropylimidazol-2-yl)thio]acetamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=CN2C3CC3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=CN2C3CC3)C4CCCCC4)C

InChI

InChI=1S/C21H27N5OS/c1-14-15(2)26(17-6-4-3-5-7-17)20(18(14)12-22)24-19(27)13-28-21-23-10-11-25(21)16-8-9-16/h10-11,16-17H,3-9,13H2,1-2H3,(H,24,27)