disodium 2-[(4Z)-5-azanylidene-3-tert-butyl-4-[(3,4-dicyanophenyl)hydrazinylidene]pyrazol-1-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate

Systemtic Name: disodium 2-[(4Z)-5-azanylidene-3-tert-butyl-4-[(3,4-dicyanophenyl)hydrazinylidene]pyrazol-1-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: disodium 2-[(4Z)-3-tert-butyl-4-[(3,4-dicyanophenyl)hydrazono]-5-imino-pyrazol-1-yl]-4-oxidoperoxysulfanyl-benzenesulfonate CAS Name: disodium 2-[(4Z)-3-tert-butyl-4-[(3,4-dicyanophenyl)hydrazinylidene]-5-imino-1-pyrazolyl]-4-(oxidodioxythio)benzenesulfonate IUPAC Name: disodium 2-[(4Z)-3-tert-butyl-4-[(3,4-dicyanophenyl)hydrazinylidene]-5-iminopyrazol-1-yl]-4-oxidoperoxysulfanylbenzenesulfonate Traditional Name: disodium 2-[(4Z)-3-tert-butyl-4-[(3,4-dicyanophenyl)hydrazono]-5-imino-2-pyrazolin-1-yl]-4-(oxidoperoxythio)besylate Formula: C21H17N7Na2O6S2 MolecularWeight: 573.51252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N)C1=NNC2=CC(=C(C=C2)C#N)C#N)C3=C(C=CC(=C3)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)(C)C\1=NN(C(=N)/C1=N\NC2=CC(=C(C=C2)C#N)C#N)C3=C(C=CC(=C3)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H19N7O6S2.2Na/c1-21(2,3)19-18(26-25-14-5-4-12(10-22)13(8-14)11-23)20(24)28(27-19)16-9-15(35-34-33-29)6-7-17(16)36(30,31)32;;/h4-9,24-25,29H,1-3H3,(H,30,31,32);;/q;2*+1/p-2/b24-20?,26-18-;;