2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(4-cyano-2-fluorophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(4-cyano-2-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(4-cyano-2-fluoro-benzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C13H9FN3OS- MolecularWeight: 274.293463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(C=C(C=C2)C#N)F)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(C=C(C=C2)C#N)F)[O-]

InChI

InChI=1S/C13H10FN3OS/c1-8-4-12(18)17-13(16-8)19-7-10-3-2-9(6-15)5-11(10)14/h2-5H,7H2,1H3,(H,16,17,18)/p-1