N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3-cyano-6-ethoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3-cyano-6-ethoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3-cyano-6-ethoxy-2-quinolyl)thio]acetamide Formula: C21H15ClF3N3O2S MolecularWeight: 465.87591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H15ClF3N3O2S/c1-2-30-15-4-6-18-12(8-15)7-13(10-26)20(28-18)31-11-19(29)27-14-3-5-17(22)16(9-14)21(23,24)25/h3-9H,2,11H2,1H3,(H,27,29)