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

Systemtic Name: N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamide CAS Name: N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[(4,5-dimethyl-1H-imidazol-2-yl)thio]acetamide IUPAC Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4,5-dimethyl-1H-imidazol-2-yl)thio]acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C#N)NC(=O)CSC2=NC(=C(N2)C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C#N)NC(=O)CSC2=NC(=C(N2)C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N5OS/c1-12-16(10-21)19(24-17(12)9-15-7-5-4-6-8-15)25-18(26)11-27-20-22-13(2)14(3)23-20/h4-8,24H,9,11H2,1-3H3,(H,22,23)(H,25,26)