[4-sulfanylidene-6-(trifluoromethyl)-1,2-dihydropyrimidin-3-yl] benzoate

Systemtic Name: [4-sulfanylidene-6-(trifluoromethyl)-1,2-dihydropyrimidin-3-yl] benzoate Openeye Name: [4-thioxo-6-(trifluoromethyl)-1,2-dihydropyrimidin-3-yl] benzoate CAS Name: benzoic acid [4-sulfanylidene-6-(trifluoromethyl)-1,2-dihydropyrimidin-3-yl] ester IUPAC Name: [4-sulfanylidene-6-(trifluoromethyl)-1,2-dihydropyrimidin-3-yl] benzoate Traditional Name: benzoic acid [4-thioxo-6-(trifluoromethyl)-1,2-dihydropyrimidin-3-yl] ester Formula: C12H9F3N2O2S MolecularWeight: 302.27227

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=CC(=S)N1OC(=O)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

C1NC(=CC(=S)N1OC(=O)C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O2S/c13-12(14,15)9-6-10(20)17(7-16-9)19-11(18)8-4-2-1-3-5-8/h1-6,16H,7H2