N-(cyanomethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(4,8-dimethyl-2-quinolyl)thio]-N-phenyl-acetamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3OS/c1-15-7-6-10-18-16(2)13-19(23-21(15)18)26-14-20(25)24(12-11-22)17-8-4-3-5-9-17/h3-10,13H,12,14H2,1-2H3