2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetate Formula: C13H7F4N2O2S- MolecularWeight: 331.265493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F)F

InChI

InChI=1S/C13H8F4N2O2S/c14-8-3-1-7(2-4-8)9-5-10(13(15,16)17)19-12(18-9)22-6-11(20)21/h1-5H,6H2,(H,20,21)/p-1