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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1C(F)(F)F)SCC(=O)O

Isomeric SMILES

C1=CN=C(N=C1C(F)(F)F)SCC(=O)O

InChI

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