1-[(3-carbamothioylphenyl)methyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[(3-carbamothioylphenyl)methyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[(3-carbamothioylphenyl)methyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[(3-carbamothioylphenyl)methyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[(3-carbamothioylphenyl)methyl]-6-oxopyridazin-3-olate Traditional Name: 6-keto-1-(3-thiocarbamoylbenzyl)pyridazin-3-olate Formula: C12H10N3O2S- MolecularWeight: 260.2917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O2S/c13-12(18)9-3-1-2-8(6-9)7-15-11(17)5-4-10(16)14-15/h1-6H,7H2,(H2,13,18)(H,14,16)/p-1