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

Systemtic Name: 4-[2-(4-azanylperoxysulfanyloxyphenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[2-(4-aminoperoxysulfanyloxyphenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[2-[4-(aminodioxythio)oxyphenoxy]ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[2-(4-aminoperoxysulfanyloxyphenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[2-[4-(aminoperoxythio)oxyphenoxy]ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C17H16N6O4S MolecularWeight: 400.41174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O4S/c18-11-14-1-3-15(4-2-14)23(22-12-20-21-13-22)9-10-24-16-5-7-17(8-6-16)25-28-27-26-19/h1-8,12-13H,9-10,19H2