N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-(1-phenylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-(1-phenylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-(1-phenylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-[(1-phenyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(1-phenylimidazol-2-yl)thio]acetamide Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)C(=O)CSC2=NC=CN2C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)C(=O)CSC2=NC=CN2C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H19ClN4OS/c1-16-14-18(8-9-19(16)22)25(12-5-10-23)20(27)15-28-21-24-11-13-26(21)17-6-3-2-4-7-17/h2-4,6-9,11,13-14H,5,12,15H2,1H3