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

Systemtic Name: 3-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Openeye Name: 3-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate CAS Name: 3-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoate IUPAC Name: 3-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionate Formula: C14H14F3N4O2S- MolecularWeight: 359.34677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N4O2S/c1-3-21-7-9(8(2)20-21)10-6-11(14(15,16)17)19-13(18-10)24-5-4-12(22)23/h6-7H,3-5H2,1-2H3,(H,22,23)/p-1