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

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C16H17ClN4OS MolecularWeight: 348.85038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)C(=O)CSC2=NC=CN2C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)C(=O)CSC2=NC=CN2C)Cl

InChI

InChI=1S/C16H17ClN4OS/c1-12-10-13(4-5-14(12)17)21(8-3-6-18)15(22)11-23-16-19-7-9-20(16)2/h4-5,7,9-10H,3,8,11H2,1-2H3