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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C

InChI

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