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

Systemtic Name: N-(2-cyanoethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-methyl-2-quinolyl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-methyl-2-quinolinyl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-methyl-2-quinolyl)thio]-N-phenyl-acetamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3OS/c1-16-14-20(23-19-11-6-5-10-18(16)19)26-15-21(25)24(13-7-12-22)17-8-3-2-4-9-17/h2-6,8-11,14H,7,13,15H2,1H3