6-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]pyridazin-3-olate

Systemtic Name: 6-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]pyridazin-3-olate Openeye Name: 6-[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]pyridazin-3-olate CAS Name: 6-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-3-pyridazinolate IUPAC Name: 6-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]pyridazin-3-olate Traditional Name: 6-[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]pyridazin-3-olate Formula: C13H10N5OS- MolecularWeight: 284.3164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NNC2=S)C3=NN=C(C=C3)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=NNC2=S)C3=NN=C(C=C3)[O-]

InChI

InChI=1S/C13H11N5OS/c1-8-4-2-3-5-10(8)18-12(16-17-13(18)20)9-6-7-11(19)15-14-9/h2-7H,1H3,(H,15,19)(H,17,20)/p-1