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

Systemtic Name: 2-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(1-ethyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetic acid Formula: C12H11F3N4O2S MolecularWeight: 332.30155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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