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

Systemtic Name: 2-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[2-(trifluoromethyl)-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-(trifluoromethyl)pyrimidin-4-yl]thio]acetic acid Formula: C7H5F3N2O2S MolecularWeight: 238.18701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1SCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CN=C(N=C1SCC(=O)O)C(F)(F)F

InChI

InChI=1S/C7H5F3N2O2S/c8-7(9,10)6-11-2-1-4(12-6)15-3-5(13)14/h1-2H,3H2,(H,13,14)