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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3C)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3C)C#N)C

InChI

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