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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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