8-oxidanyl-N-[2-[4-(trifluoromethyl)quinolin-2-yl]sulfanylethyl]quinoline-7-carboxamide

Systemtic Name: 8-oxidanyl-N-[2-[4-(trifluoromethyl)quinolin-2-yl]sulfanylethyl]quinoline-7-carboxamide Openeye Name: 8-hydroxy-N-[2-[[4-(trifluoromethyl)-2-quinolyl]sulfanyl]ethyl]quinoline-7-carboxamide CAS Name: 8-hydroxy-N-[2-[[4-(trifluoromethyl)-2-quinolinyl]thio]ethyl]-7-quinolinecarboxamide IUPAC Name: 8-hydroxy-N-[2-[4-(trifluoromethyl)quinolin-2-yl]sulfanylethyl]quinoline-7-carboxamide Traditional Name: 8-hydroxy-N-[2-[[4-(trifluoromethyl)-2-quinolyl]thio]ethyl]quinoline-7-carboxamide Formula: C22H16F3N3O2S MolecularWeight: 443.44155

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SCCNC(=O)C3=C(C4=C(C=CC=N4)C=C3)O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SCCNC(=O)C3=C(C4=C(C=CC=N4)C=C3)O)C(F)(F)F

InChI

InChI=1S/C22H16F3N3O2S/c23-22(24,25)16-12-18(28-17-6-2-1-5-14(16)17)31-11-10-27-21(30)15-8-7-13-4-3-9-26-19(13)20(15)29/h1-9,12,29H,10-11H2,(H,27,30)