2-(hydroxymethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one

Systemtic Name: 2-(hydroxymethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one Openeye Name: 2-(hydroxymethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]pentoxy]pyran-4-one CAS Name: 2-(hydroxymethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolinyl]thio]pentoxy]-4-pyranone IUPAC Name: 2-(hydroxymethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one Traditional Name: 2-methylol-5-[5-[[7-(trifluoromethyl)-4-quinolyl]thio]pentoxy]pyran-4-one Formula: C21H20F3NO4S MolecularWeight: 439.44801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C=C1C(F)(F)F)SCCCCCOC3=COC(=CC3=O)CO

Isomeric SMILES

C1=CC2=C(C=CN=C2C=C1C(F)(F)F)SCCCCCOC3=COC(=CC3=O)CO

InChI

InChI=1S/C21H20F3NO4S/c22-21(23,24)14-4-5-16-17(10-14)25-7-6-20(16)30-9-3-1-2-8-28-19-13-29-15(12-26)11-18(19)27/h4-7,10-11,13,26H,1-3,8-9,12H2