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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-ethyl-pyrimidin-4-olate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-ethyl-pyrimidin-4-olate CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-6-ethyl-4-pyrimidinolate IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-ethylpyrimidin-4-olate Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-6-ethyl-pyrimidin-4-olate Formula: C13H11ClFN2OS- MolecularWeight: 297.755643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=C(C=CC=C2Cl)F)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=C(C=CC=C2Cl)F)[O-]

InChI

InChI=1S/C13H12ClFN2OS/c1-2-8-6-12(18)17-13(16-8)19-7-9-10(14)4-3-5-11(9)15/h3-6H,2,7H2,1H3,(H,16,17,18)/p-1