2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[(3-cyano-6,7-dimethyl-2-quinolyl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[(3-cyano-6,7-dimethyl-2-quinolinyl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[(3-cyano-6,7-dimethyl-2-quinolyl)thio]-N-(p-tolyl)acetamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC(=C(C=C3C=C2C#N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC(=C(C=C3C=C2C#N)C)C

InChI

InChI=1S/C21H19N3OS/c1-13-4-6-18(7-5-13)23-20(25)12-26-21-17(11-22)10-16-8-14(2)15(3)9-19(16)24-21/h4-10H,12H2,1-3H3,(H,23,25)