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

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]acetamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O2S/c1-16-14-18(6-9-20(16)23)26(12-3-10-24)21(28)15-30-22-25-11-13-27(22)17-4-7-19(29-2)8-5-17/h4-9,11,13-14H,3,12,15H2,1-2H3