4-[5-(4-azanylperoxysulfanyloxyphenyl)sulfanylpentyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[5-(4-azanylperoxysulfanyloxyphenyl)sulfanylpentyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[5-(4-aminoperoxysulfanyloxyphenyl)sulfanylpentyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[5-[[4-(aminodioxythio)oxyphenyl]thio]pentyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[5-(4-aminoperoxysulfanyloxyphenyl)sulfanylpentyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[5-[[4-(aminoperoxythio)oxyphenyl]thio]pentyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C20H22N6O3S2 MolecularWeight: 458.55708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CCCCCSC2=CC=C(C=C2)OSOON)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CCCCCSC2=CC=C(C=C2)OSOON)N3C=NN=C3

InChI

InChI=1S/C20H22N6O3S2/c21-14-17-4-6-18(7-5-17)26(25-15-23-24-16-25)12-2-1-3-13-30-20-10-8-19(9-11-20)27-31-29-28-22/h4-11,15-16H,1-3,12-13,22H2