2-pyrimidin-2-ylsulfanyl-2-[2-(trifluoromethyl)phenyl]ethanoic acid

Systemtic Name: 2-pyrimidin-2-ylsulfanyl-2-[2-(trifluoromethyl)phenyl]ethanoic acid Openeye Name: 2-pyrimidin-2-ylsulfanyl-2-[2-(trifluoromethyl)phenyl]acetic acid CAS Name: 2-(2-pyrimidinylthio)-2-[2-(trifluoromethyl)phenyl]acetic acid IUPAC Name: 2-pyrimidin-2-ylsulfanyl-2-[2-(trifluoromethyl)phenyl]acetic acid Traditional Name: 2-(2-pyrimidylthio)-2-[2-(trifluoromethyl)phenyl]acetic acid Formula: C13H9F3N2O2S MolecularWeight: 314.28297

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C(=O)O)SC2=NC=CC=N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(C(=O)O)SC2=NC=CC=N2)C(F)(F)F

InChI

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