N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-13-5-6-15(11-14(13)2)21(9-4-7-18)16(22)12-23-17-19-8-10-20(17)3/h5-6,8,10-11H,4,9,12H2,1-3H3