2-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(1,3-dimethyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetate Formula: C12H10F3N4O2S- MolecularWeight: 331.29361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F)C

Isomeric SMILES

CC1=NN(C=C1C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C12H11F3N4O2S/c1-6-7(4-19(2)18-6)8-3-9(12(13,14)15)17-11(16-8)22-5-10(20)21/h3-4H,5H2,1-2H3,(H,20,21)/p-1