2-[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(2-ethyl-3-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetic acid Formula: C12H11F3N4O2S MolecularWeight: 332.30155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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