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

Systemtic Name: disodium 3-[(4Z)-5-azanylidene-3-tert-butyl-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)pyrazol-1-yl]-5-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: disodium 3-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazono)pyrazol-1-yl]-5-oxidoperoxysulfanyl-benzenesulfonate CAS Name: disodium 3-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)-1-pyrazolyl]-5-(oxidodioxythio)benzenesulfonate IUPAC Name: disodium 3-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)pyrazol-1-yl]-5-oxidoperoxysulfanylbenzenesulfonate Traditional Name: disodium 3-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazono)-2-pyrazolin-1-yl]-5-(oxidoperoxythio)besylate Formula: C15H15N7Na2O6S3 MolecularWeight: 531.49744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N)C1=NNC2=NC=NS2)C3=CC(=CC(=C3)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)(C)C\1=NN(C(=N)/C1=N\NC2=NC=NS2)C3=CC(=CC(=C3)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C15H17N7O6S3.2Na/c1-15(2,3)12-11(19-20-14-17-7-18-29-14)13(16)22(21-12)8-4-9(30-28-27-23)6-10(5-8)31(24,25)26;;/h4-7,16,23H,1-3H3,(H,17,18,20)(H,24,25,26);;/q;2*+1/p-2/b16-13?,19-11-;;