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

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-(benzylthio)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSCC2=CC=CC=C2)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSCC2=CC=CC=C2)C3CCCC3)C

InChI

InChI=1S/C21H25N3OS/c1-15-16(2)24(18-10-6-7-11-18)21(19(15)12-22)23-20(25)14-26-13-17-8-4-3-5-9-17/h3-5,8-9,18H,6-7,10-11,13-14H2,1-2H3,(H,23,25)