2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(3-cyano-5,7-dimethyl-2-quinolyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(3-cyano-5,7-dimethyl-2-quinolyl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C21H16F3N3OS MolecularWeight: 415.43145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)NC3=CC=CC=C3C(F)(F)F)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)NC3=CC=CC=C3C(F)(F)F)C#N)C

InChI

InChI=1S/C21H16F3N3OS/c1-12-7-13(2)15-9-14(10-25)20(27-18(15)8-12)29-11-19(28)26-17-6-4-3-5-16(17)21(22,23)24/h3-9H,11H2,1-2H3,(H,26,28)