disodium (5E)-5-[[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxidanylidene-4H-pyrazol-4-yl]hydrazinylidene]-1,2,4-triazole-3-carboxylate

Systemtic Name: disodium (5E)-5-[[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxidanylidene-4H-pyrazol-4-yl]hydrazinylidene]-1,2,4-triazole-3-carboxylate Openeye Name: disodium (5E)-5-[[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxo-4H-pyrazol-4-yl]hydrazono]-1,2,4-triazole-3-carboxylate CAS Name: disodium (5E)-5-[[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-1,2,4-triazole-3-carboxylate IUPAC Name: disodium (5E)-5-[[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-1,2,4-triazole-3-carboxylate Traditional Name: disodium (5E)-5-[[5-keto-3-methyl-1-(2-methyl-4-sulfonato-phenyl)-2-pyrazolin-4-yl]hydrazono]-1,2,4-triazole-3-carboxylate Formula: C14H11N7Na2O6S MolecularWeight: 451.32498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=O)C(C(=N2)C)NN=C3N=C(N=N3)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=O)C(C(=N2)C)N/N=C/3\N=C(N=N3)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H13N7O6S.2Na/c1-6-5-8(28(25,26)27)3-4-9(6)21-12(22)10(7(2)20-21)16-18-14-15-11(13(23)24)17-19-14;;/h3-5,10,16H,1-2H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2/b18-14+;;