N-(cyanomethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(2,4-dimethylphenyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(2,4-dimethylphenyl)thio]-N-phenyl-acetamide Formula: C18H18N2OS MolecularWeight: 310.41332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)N(CC#N)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)N(CC#N)C2=CC=CC=C2)C

InChI

InChI=1S/C18H18N2OS/c1-14-8-9-17(15(2)12-14)22-13-18(21)20(11-10-19)16-6-4-3-5-7-16/h3-9,12H,11,13H2,1-2H3