sodium 2-oxidanidylperoxysulfanyl-N-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]benzamide

Systemtic Name: sodium 2-oxidanidylperoxysulfanyl-N-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]benzamide Openeye Name: sodium 2-oxidoperoxysulfanyl-N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]benzamide CAS Name: sodium 2-[oxo-[3-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]methyl]benzenesulfenic acid oxidooxy ester IUPAC Name: sodium 2-oxidoperoxysulfanyl-N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]benzamide Traditional Name: sodium 2-(oxidoperoxythio)-N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]benzamide Formula: C14H10N5NaO4S2 MolecularWeight: 399.38007

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C(=S)N=NN3)SOO[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C(=S)N=NN3)SOO[O-].[Na+]

InChI

InChI=1S/C14H11N5O4S2.Na/c20-13(11-6-1-2-7-12(11)25-23-22-21)15-9-4-3-5-10(8-9)19-14(24)16-17-18-19;/h1-8,21H,(H,15,20)(H,16,18,24);/q;+1/p-1