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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C12H9ClFN2OS- MolecularWeight: 283.729063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(C=CC=C2Cl)F)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(C=CC=C2Cl)F)[O-]

InChI

InChI=1S/C12H10ClFN2OS/c1-7-5-11(17)16-12(15-7)18-6-8-9(13)3-2-4-10(8)14/h2-5H,6H2,1H3,(H,15,16,17)/p-1