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

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[[1-(2-methylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[[1-(o-tolyl)imidazol-2-yl]thio]acetamide Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H24N4OS/c1-17-13-18(2)15-20(14-17)26(11-6-9-24)22(28)16-29-23-25-10-12-27(23)21-8-5-4-7-19(21)3/h4-5,7-8,10,12-15H,6,11,16H2,1-3H3