2-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(1-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetic acid Formula: C11H9F3N4O2S MolecularWeight: 318.27497

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC(=NC(=N2)SCC(=O)O)C(F)(F)F

Isomeric SMILES

CN1C=C(C=N1)C2=CC(=NC(=N2)SCC(=O)O)C(F)(F)F

InChI

InChI=1S/C11H9F3N4O2S/c1-18-4-6(3-15-18)7-2-8(11(12,13)14)17-10(16-7)21-5-9(19)20/h2-4H,5H2,1H3,(H,19,20)