2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2)C4CCCC4)C

InChI

InChI=1S/C21H23N5OS/c1-13-14(2)26(15-7-3-4-8-15)20(16(13)11-22)25-19(27)12-28-21-23-17-9-5-6-10-18(17)24-21/h5-6,9-10,15H,3-4,7-8,12H2,1-2H3,(H,23,24)(H,25,27)