2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[(3-cyano-7,8-dimethyl-2-quinolyl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[(3-cyano-7,8-dimethyl-2-quinolinyl)thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[(3-cyano-7,8-dimethyl-2-quinolyl)thio]-N-(m-tolyl)acetamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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