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

Systemtic Name: 4-[4-(4-azanylperoxysulfanyloxyphenoxy)butyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[4-(4-aminoperoxysulfanyloxyphenoxy)butyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[4-[4-(aminodioxythio)oxyphenoxy]butyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[4-(4-aminoperoxysulfanyloxyphenoxy)butyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[4-[4-(aminoperoxythio)oxyphenoxy]butyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CCCCOC2=CC=C(C=C2)OSOON)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CCCCOC2=CC=C(C=C2)OSOON)N3C=NN=C3

InChI

InChI=1S/C19H20N6O4S/c20-13-16-3-5-17(6-4-16)25(24-14-22-23-15-24)11-1-2-12-26-18-7-9-19(10-8-18)27-30-29-28-21/h3-10,14-15H,1-2,11-12,21H2