disodium 3-[(4E)-5-azanylidene-3-tert-butyl-4-[(4-isocyano-3-methyl-1,2-thiazol-5-yl)hydrazinylidene]pyrazol-1-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate

Systemtic Name: disodium 3-[(4E)-5-azanylidene-3-tert-butyl-4-[(4-isocyano-3-methyl-1,2-thiazol-5-yl)hydrazinylidene]pyrazol-1-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: disodium 3-[(4E)-3-tert-butyl-5-imino-4-[(4-isocyano-3-methyl-isothiazol-5-yl)hydrazono]pyrazol-1-yl]-4-oxidoperoxysulfanyl-benzenesulfonate CAS Name: disodium 3-[(4E)-3-tert-butyl-5-imino-4-[(4-isocyano-3-methyl-5-isothiazolyl)hydrazinylidene]-1-pyrazolyl]-4-(oxidodioxythio)benzenesulfonate IUPAC Name: disodium 3-[(4E)-3-tert-butyl-5-imino-4-[(4-isocyano-3-methyl-1,2-thiazol-5-yl)hydrazinylidene]pyrazol-1-yl]-4-oxidoperoxysulfanylbenzenesulfonate Traditional Name: disodium 3-[(4E)-3-tert-butyl-5-imino-4-[(4-isocyano-3-methyl-isothiazol-5-yl)hydrazono]-2-pyrazolin-1-yl]-4-(oxidoperoxythio)besylate Formula: C18H17N7Na2O6S3 MolecularWeight: 569.54542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1[N+]#[C-])NN=C2C(=NN(C2=N)C3=C(C=CC(=C3)S(=O)(=O)[O-])SOO[O-])C(C)(C)C.[Na+].[Na+]

Isomeric SMILES

CC1=NSC(=C1[N+]#[C-])N/N=C/2\C(=NN(C2=N)C3=C(C=CC(=C3)S(=O)(=O)[O-])SOO[O-])C(C)(C)C.[Na+].[Na+]

InChI

InChI=1S/C18H19N7O6S3.2Na/c1-9-13(20-5)17(32-24-9)22-21-14-15(18(2,3)4)23-25(16(14)19)11-8-10(34(27,28)29)6-7-12(11)33-31-30-26;;/h6-8,19,22,26H,1-4H3,(H,27,28,29);;/q;2*+1/p-2/b19-16?,21-14+;;