2-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoate

Systemtic Name: 2-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoate Openeye Name: 2-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetate CAS Name: 2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]thio]acetate IUPAC Name: 2-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetate Traditional Name: 2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]thio]acetate Formula: C12H8F3N2O2S- MolecularWeight: 301.26433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2SCC(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2SCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H9F3N2O2S/c1-6-2-3-8-7(4-6)10(20-5-9(18)19)17-11(16-8)12(13,14)15/h2-4H,5H2,1H3,(H,18,19)/p-1