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

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-7-methoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-7-methoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-7-methoxy-2-quinolyl)thio]acetamide Formula: C20H13ClF3N3O2S MolecularWeight: 451.84933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C20H13ClF3N3O2S/c1-29-14-4-2-11-6-12(9-25)19(27-16(11)8-14)30-10-18(28)26-17-7-13(20(22,23)24)3-5-15(17)21/h2-8H,10H2,1H3,(H,26,28)