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

Systemtic Name: 4-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoic acid Openeye Name: 4-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoic acid CAS Name: 4-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanoic acid IUPAC Name: 4-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]butyric acid Formula: C15H17F3N4O2S MolecularWeight: 374.38129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17F3N4O2S/c1-3-22-8-10(9(2)21-22)11-7-12(15(16,17)18)20-14(19-11)25-6-4-5-13(23)24/h7-8H,3-6H2,1-2H3,(H,23,24)