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

Systemtic Name: 2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(3-cyano-7-ethoxy-2-quinolinyl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C21H16F3N3O2S MolecularWeight: 431.43085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3C(F)(F)F)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3C(F)(F)F)C#N

InChI

InChI=1S/C21H16F3N3O2S/c1-2-29-15-8-7-13-9-14(11-25)20(27-18(13)10-15)30-12-19(28)26-17-6-4-3-5-16(17)21(22,23)24/h3-10H,2,12H2,1H3,(H,26,28)