2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetate Formula: C13H12F3N4O2S- MolecularWeight: 345.32019

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H13F3N4O2S/c1-3-20-5-8(7(2)19-20)9-4-10(13(14,15)16)18-12(17-9)23-6-11(21)22/h4-5H,3,6H2,1-2H3,(H,21,22)/p-1