2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)acetamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C22H19N5OS/c1-14-16(12-23)21(24-19(14)11-15-7-3-2-4-8-15)27-20(28)13-29-22-25-17-9-5-6-10-18(17)26-22/h2-10,24H,11,13H2,1H3,(H,25,26)(H,27,28)