4-[10-(4-azanylperoxysulfanyloxyphenyl)sulfanyldecyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[10-(4-azanylperoxysulfanyloxyphenyl)sulfanyldecyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[10-(4-aminoperoxysulfanyloxyphenyl)sulfanyldecyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[10-[[4-(aminodioxythio)oxyphenyl]thio]decyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[10-(4-aminoperoxysulfanyloxyphenyl)sulfanyldecyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[10-[[4-(aminoperoxythio)oxyphenyl]thio]decyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C25H32N6O3S2 MolecularWeight: 528.68998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CCCCCCCCCCSC2=CC=C(C=C2)OSOON)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CCCCCCCCCCSC2=CC=C(C=C2)OSOON)N3C=NN=C3

InChI

InChI=1S/C25H32N6O3S2/c26-19-22-9-11-23(12-10-22)31(30-20-28-29-21-30)17-7-5-3-1-2-4-6-8-18-35-25-15-13-24(14-16-25)32-36-34-33-27/h9-16,20-21H,1-8,17-18,27H2