N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C24H23N5OS MolecularWeight: 429.53732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2C)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H23N5OS/c1-16-17(2)29(14-18-9-5-4-6-10-18)23(19(16)13-25)27-22(30)15-31-24-26-20-11-7-8-12-21(20)28(24)3/h4-12H,14-15H2,1-3H3,(H,27,30)