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

Systemtic Name: 1-[3-methoxy-4-[2-oxidanyl-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[2-hydroxy-3-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[2-hydroxy-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[2-hydroxy-3-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propoxy]-3-methoxy-phenyl]ethanone Formula: C21H19F3N2O4S MolecularWeight: 452.44677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O4S/c1-12(27)13-7-8-17(18(9-13)29-2)30-10-14(28)11-31-19-15-5-3-4-6-16(15)25-20(26-19)21(22,23)24/h3-9,14,28H,10-11H2,1-2H3