1-[(5-carbamothioyl-2-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[(5-carbamothioyl-2-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[(5-carbamothioyl-2-fluoro-phenyl)methyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[(5-carbamothioyl-2-fluorophenyl)methyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[(5-carbamothioyl-2-fluorophenyl)methyl]-6-oxopyridazin-3-olate Traditional Name: 1-(2-fluoro-5-thiocarbamoyl-benzyl)-6-keto-pyridazin-3-olate Formula: C12H9FN3O2S- MolecularWeight: 278.282163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=S)N)CN2C(=O)C=CC(=N2)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1C(=S)N)CN2C(=O)C=CC(=N2)[O-])F

InChI

InChI=1S/C12H10FN3O2S/c13-9-2-1-7(12(14)19)5-8(9)6-16-11(18)4-3-10(17)15-16/h1-5H,6H2,(H2,14,19)(H,15,17)/p-1