4-[2-(4-azanylperoxysulfanyloxyphenyl)ethyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[2-(4-azanylperoxysulfanyloxyphenyl)ethyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[2-(4-aminoperoxysulfanyloxyphenyl)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[2-[4-(aminodioxythio)oxyphenyl]ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[2-(4-aminoperoxysulfanyloxyphenyl)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[2-[4-(aminoperoxythio)oxyphenyl]ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN(C2=CC=C(C=C2)C#N)N3C=NN=C3)OSOON

Isomeric SMILES

C1=CC(=CC=C1CCN(C2=CC=C(C=C2)C#N)N3C=NN=C3)OSOON

InChI

InChI=1S/C17H16N6O3S/c18-11-15-1-5-16(6-2-15)23(22-12-20-21-13-22)10-9-14-3-7-17(8-4-14)24-27-26-25-19/h1-8,12-13H,9-10,19H2