N-(cyanomethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[(4-methyl-2-quinolyl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(4-methyl-2-quinolinyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(4-methyl-2-quinolyl)thio]-N-phenyl-acetamide Formula: C20H17N3OS MolecularWeight: 347.43348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3OS/c1-15-13-19(22-18-10-6-5-9-17(15)18)25-14-20(24)23(12-11-21)16-7-3-2-4-8-16/h2-10,13H,12,14H2,1H3