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

Systemtic Name: N-(cyanomethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]-N-phenyl-acetamide Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-16-12-17(2)14-19(13-16)25-11-9-23-21(25)27-15-20(26)24(10-8-22)18-6-4-3-5-7-18/h3-7,9,11-14H,10,15H2,1-2H3