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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

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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=CS4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2C)CC4=CC=CS4)C

InChI

InChI=1S/C22H21N5OS2/c1-14-15(2)27(12-16-7-6-10-29-16)21(17(14)11-23)25-20(28)13-30-22-24-18-8-4-5-9-19(18)26(22)3/h4-10H,12-13H2,1-3H3,(H,25,28)