1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C19H15F3N2O3S MolecularWeight: 408.39421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15F3N2O3S/c1-26-15-8-7-11(9-16(15)27-2)14(25)10-28-17-12-5-3-4-6-13(12)23-18(24-17)19(20,21)22/h3-9H,10H2,1-2H3