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

Systemtic Name: 4-[2-(4-azanylperoxysulfanyloxy-3-bromanyl-phenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[2-(4-aminoperoxysulfanyloxy-3-bromo-phenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[2-[4-(aminodioxythio)oxy-3-bromophenoxy]ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[2-(4-aminoperoxysulfanyloxy-3-bromophenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[2-[4-(aminoperoxythio)oxy-3-bromo-phenoxy]ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C17H15BrN6O4S MolecularWeight: 479.3078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CCOC2=CC(=C(C=C2)OSOON)Br)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CCOC2=CC(=C(C=C2)OSOON)Br)N3C=NN=C3

InChI

InChI=1S/C17H15BrN6O4S/c18-16-9-15(5-6-17(16)26-29-28-27-20)25-8-7-24(23-11-21-22-12-23)14-3-1-13(10-19)2-4-14/h1-6,9,11-12H,7-8,20H2