3-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate

Systemtic Name: 3-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Openeye Name: 3-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate CAS Name: 3-[[4-(1,3-dimethyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoate IUPAC Name: 3-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionate Formula: C13H12F3N4O2S- MolecularWeight: 345.32019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=CC(=NC(=N2)SCCC(=O)[O-])C(F)(F)F)C

Isomeric SMILES

CC1=NN(C=C1C2=CC(=NC(=N2)SCCC(=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C13H13F3N4O2S/c1-7-8(6-20(2)19-7)9-5-10(13(14,15)16)18-12(17-9)23-4-3-11(21)22/h5-6H,3-4H2,1-2H3,(H,21,22)/p-1