1-(5-fluoranyl-2-methoxy-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(5-fluoranyl-2-methoxy-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(5-fluoro-2-methoxy-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(5-fluoro-2-methoxyphenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(5-fluoro-2-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(5-fluoro-2-methoxy-phenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C18H12F4N2O2S MolecularWeight: 396.358693

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H12F4N2O2S/c1-26-15-7-6-10(19)8-12(15)14(25)9-27-16-11-4-2-3-5-13(11)23-17(24-16)18(20,21)22/h2-8H,9H2,1H3