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

Systemtic Name: 4-[(4-azanylperoxysulfanyloxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(4-aminoperoxysulfanyloxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[[4-(aminodioxythio)oxyphenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(4-aminoperoxysulfanyloxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[[4-(aminoperoxythio)oxybenzyl]-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C16H14N6O3S MolecularWeight: 370.38576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)OSOON

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)OSOON

InChI

InChI=1S/C16H14N6O3S/c17-9-13-1-5-15(6-2-13)22(21-11-19-20-12-21)10-14-3-7-16(8-4-14)23-26-25-24-18/h1-8,11-12H,10,18H2