disodium 2-[(2Z)-2-[5-azanylidene-1-methyl-3-(2-oxidanidylperoxysulfanylethylsulfanyl)pyrazol-4-ylidene]hydrazinyl]-1,3-benzothiazole-5-sulfonate

Systemtic Name: disodium 2-[(2Z)-2-[5-azanylidene-1-methyl-3-(2-oxidanidylperoxysulfanylethylsulfanyl)pyrazol-4-ylidene]hydrazinyl]-1,3-benzothiazole-5-sulfonate Openeye Name: disodium 2-[(2Z)-2-[5-imino-1-methyl-3-(2-oxidoperoxysulfanylethylsulfanyl)pyrazol-4-ylidene]hydrazino]-1,3-benzothiazole-5-sulfonate CAS Name: disodium 2-[(2Z)-2-[5-imino-1-methyl-3-[2-(oxidodioxythio)ethylthio]-4-pyrazolylidene]hydrazinyl]-1,3-benzothiazole-5-sulfonate IUPAC Name: disodium 2-[(2Z)-2-[5-imino-1-methyl-3-(2-oxidoperoxysulfanylethylsulfanyl)pyrazol-4-ylidene]hydrazinyl]-1,3-benzothiazole-5-sulfonate Traditional Name: disodium 2-[(N'Z)-N'-[5-imino-1-methyl-3-[2-(oxidoperoxythio)ethylthio]-2-pyrazolin-4-ylidene]hydrazino]-1,3-benzothiazole-5-sulfonate Formula: C13H12N6Na2O6S4 MolecularWeight: 522.51052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=N)C(=NNC2=NC3=C(S2)C=CC(=C3)S(=O)(=O)[O-])C(=N1)SCCSOO[O-].[Na+].[Na+]

Isomeric SMILES

CN1C(=N)/C(=N/NC2=NC3=C(S2)C=CC(=C3)S(=O)(=O)[O-])/C(=N1)SCCSOO[O-].[Na+].[Na+]

InChI

InChI=1S/C13H14N6O6S4.2Na/c1-19-11(14)10(12(18-19)26-4-5-27-25-24-20)16-17-13-15-8-6-7(29(21,22)23)2-3-9(8)28-13;;/h2-3,6,14,20H,4-5H2,1H3,(H,15,17)(H,21,22,23);;/q;2*+1/p-2/b14-11?,16-10-;;