1-[4-ethoxy-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[[2-(trifluoromethyl)quinazolin-4-yl]thio]methyl]phenyl]ethanone Formula: C20H17F3N2O2S MolecularWeight: 406.42139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O2S/c1-3-27-17-9-8-13(12(2)26)10-14(17)11-28-18-15-6-4-5-7-16(15)24-19(25-18)20(21,22)23/h4-10H,3,11H2,1-2H3