N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)thio]acetamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC=C(N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC=C(N2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N4OS/c1-16-11-17(2)13-19(12-16)26(10-6-9-23)21(27)15-28-22-24-14-20(25-22)18-7-4-3-5-8-18/h3-5,7-8,11-14H,6,10,15H2,1-2H3,(H,24,25)