6-[[2-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-triazol-4-yl]carbonyl]hydrazinyl]methylidene]-3-oxidanylidene-cyclohexa-1,4-dien-1-olate

Systemtic Name: 6-[[2-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-triazol-4-yl]carbonyl]hydrazinyl]methylidene]-3-oxidanylidene-cyclohexa-1,4-dien-1-olate Openeye Name: 6-[[2-[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carbonyl]hydrazino]methylene]-3-oxo-cyclohexa-1,4-dien-1-olate CAS Name: 6-[[[[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-triazolyl]-oxomethyl]hydrazo]methylidene]-3-oxo-1-cyclohexa-1,4-dienolate IUPAC Name: 6-[[2-[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carbonyl]hydrazinyl]methylidene]-3-oxocyclohexa-1,4-dien-1-olate Traditional Name: 6-[[N'-[1-(4-ammoniofurazan-3-yl)-5-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]triazole-4-carbonyl]hydrazino]methylene]-3-keto-cyclohexa-1,4-dien-1-olate Formula: C16H15N11O4S MolecularWeight: 457.4266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3[NH3+])C(=O)NNC=C4C=CC(=O)C=C4[O-]

Isomeric SMILES

CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3[NH3+])C(=O)NNC=C4C=CC(=O)C=C4[O-]

InChI

InChI=1S/C16H15N11O4S/c1-26-7-19-22-16(26)32-6-10-12(20-25-27(10)14-13(17)23-31-24-14)15(30)21-18-5-8-2-3-9(28)4-11(8)29/h2-5,7,18,29H,6H2,1H3,(H2,17,23)(H,21,30)