N-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]-2-(trioxidanylsulfanyl)benzamide

Systemtic Name: N-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]-2-(trioxidanylsulfanyl)benzamide Openeye Name: N-[3-(5-thioxo-1H-1,2,4-triazol-4-yl)phenyl]-2-(trioxidanylsulfanyl)benzamide CAS Name: 2-[oxo-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)anilino]methyl]benzenesulfenic acid hydroperoxy ester IUPAC Name: N-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]-2-(trioxidanylsulfanyl)benzamide Traditional Name: N-[3-(5-thioxo-1H-1,2,4-triazol-4-yl)phenyl]-2-(trioxidanylthio)benzamide Formula: C15H12N4O4S2 MolecularWeight: 376.41018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C=NNC3=S)SOOO

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C=NNC3=S)SOOO

InChI

InChI=1S/C15H12N4O4S2/c20-14(12-6-1-2-7-13(12)25-23-22-21)17-10-4-3-5-11(8-10)19-9-16-18-15(19)24/h1-9,21H,(H,17,20)(H,18,24)