N-(2-cyanoethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]-N-(p-tolyl)acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H22N4O2S/c1-17-7-9-18(10-8-17)25(13-4-11-23)21(27)16-29-22-24-12-14-26(22)19-5-3-6-20(15-19)28-2/h3,5-10,12,14-15H,4,13,16H2,1-2H3