1-[4-[2-oxidanyl-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[2-oxidanyl-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[2-hydroxy-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-hydroxy-3-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[2-hydroxy-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[2-hydroxy-3-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propoxy]phenyl]propan-1-one Formula: C21H19F3N2O3S MolecularWeight: 436.44737

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)O

InChI

InChI=1S/C21H19F3N2O3S/c1-2-18(28)13-7-9-15(10-8-13)29-11-14(27)12-30-19-16-5-3-4-6-17(16)25-20(26-19)21(22,23)24/h3-10,14,27H,2,11-12H2,1H3