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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]pyridazin-3-olate Openeye Name: 6-[4-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]pyridazin-3-olate CAS Name: 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-3-pyridazinolate IUPAC Name: 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]pyridazin-3-olate Traditional Name: 6-[4-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]pyridazin-3-olate Formula: C13H8N5O3S- MolecularWeight: 314.29932

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=NN=C(C=C4)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=NN=C(C=C4)[O-]

InChI

InChI=1S/C13H9N5O3S/c19-11-4-2-8(14-15-11)12-16-17-13(22)18(12)7-1-3-9-10(5-7)21-6-20-9/h1-5H,6H2,(H,15,19)(H,17,22)/p-1