6-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylsulfanylpyrimidin-4-olate Traditional Name: 6-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(methylthio)pyrimidin-4-olate Formula: C13H10F3N2O2S- MolecularWeight: 315.29091

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SC)[O-])C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SC)[O-])C(F)(F)F

InChI

InChI=1S/C13H11F3N2O2S/c1-20-10-4-3-7(5-8(10)13(14,15)16)9-6-11(19)18-12(17-9)21-2/h3-6H,1-2H3,(H,17,18,19)/p-1