4-[(6-azanylperoxysulfanyloxynaphthalen-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(6-azanylperoxysulfanyloxynaphthalen-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(6-aminoperoxysulfanyloxy-2-naphthyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[[6-(aminodioxythio)oxy-2-naphthalenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(6-aminoperoxysulfanyloxynaphthalen-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[[6-(aminoperoxythio)oxy-2-naphthyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C20H16N6O3S MolecularWeight: 420.44444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CC2=CC3=C(C=C2)C=C(C=C3)OSOON)N4C=NN=C4

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CC2=CC3=C(C=C2)C=C(C=C3)OSOON)N4C=NN=C4

InChI

InChI=1S/C20H16N6O3S/c21-11-15-2-6-19(7-3-15)26(25-13-23-24-14-25)12-16-1-4-18-10-20(27-30-29-28-22)8-5-17(18)9-16/h1-10,13-14H,12,22H2