4-[(4-azanylperoxysulfanyloxy-3-bromanyl-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(4-azanylperoxysulfanyloxy-3-bromanyl-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(4-aminoperoxysulfanyloxy-3-bromo-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[[4-(aminodioxythio)oxy-3-bromophenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(4-aminoperoxysulfanyloxy-3-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[[4-(aminoperoxythio)oxy-3-bromo-benzyl]-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C16H13BrN6O3S MolecularWeight: 449.28182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)OSOON)Br)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)OSOON)Br)N3C=NN=C3

InChI

InChI=1S/C16H13BrN6O3S/c17-15-7-13(3-6-16(15)24-27-26-25-19)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9,19H2