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

Systemtic Name: 5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-olate CAS Name: 5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-pyrimidinolate IUPAC Name: 5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 5-methoxy-2-[[3-(trifluoromethyl)benzyl]thio]pyrimidin-4-olate Formula: C13H10F3N2O2S- MolecularWeight: 315.29091

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1[O-])SCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

COC1=CN=C(N=C1[O-])SCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O2S/c1-20-10-6-17-12(18-11(10)19)21-7-8-3-2-4-9(5-8)13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19)/p-1