5-methoxy-2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]pyrimidin-4-olate

Systemtic Name: 5-methoxy-2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]pyrimidin-4-olate Openeye Name: 5-methoxy-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidin-4-olate CAS Name: 5-methoxy-2-(3,4,4-trifluorobut-3-enylthio)-4-pyrimidinolate IUPAC Name: 5-methoxy-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidin-4-olate Traditional Name: 5-methoxy-2-(3,4,4-trifluorobut-3-enylthio)pyrimidin-4-olate Formula: C9H8F3N2O2S- MolecularWeight: 265.23223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1[O-])SCCC(=C(F)F)F

Isomeric SMILES

COC1=CN=C(N=C1[O-])SCCC(=C(F)F)F

InChI

InChI=1S/C9H9F3N2O2S/c1-16-6-4-13-9(14-8(6)15)17-3-2-5(10)7(11)12/h4H,2-3H2,1H3,(H,13,14,15)/p-1