[4-[(4-azanylperoxysulfanyloxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate

Systemtic Name: [4-[(4-azanylperoxysulfanyloxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate Openeye Name: [4-[(4-aminoperoxysulfanyloxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[[4-(aminodioxythio)oxyphenyl]-(1,2,4-triazol-1-yl)methyl]phenyl] ester IUPAC Name: [4-[(4-aminoperoxysulfanyloxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[[4-(aminoperoxythio)oxyphenyl]-(1,2,4-triazol-1-yl)methyl]phenyl] ester Formula: C15H15N5O6S2 MolecularWeight: 425.4395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=CC=C(C=C2)OS(=O)(=O)N)N3C=NC=N3)OSOON

Isomeric SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)OS(=O)(=O)N)N3C=NC=N3)OSOON

InChI

InChI=1S/C15H15N5O6S2/c16-25-26-27-23-13-5-1-11(2-6-13)15(20-10-18-9-19-20)12-3-7-14(8-4-12)24-28(17,21)22/h1-10,15H,16H2,(H2,17,21,22)