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

Systemtic Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetic acid Formula: C13H9F3N2O2S MolecularWeight: 314.28297

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)O)C(F)(F)F

InChI

InChI=1S/C13H9F3N2O2S/c14-13(15,16)10-6-9(8-4-2-1-3-5-8)17-12(18-10)21-7-11(19)20/h1-6H,7H2,(H,19,20)