4-[[4-(dimethylaminoperoxysulfanyloxy)phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(dimethylaminoperoxysulfanyloxy)phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[[4-(dimethylaminoperoxysulfanyloxy)phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[[4-(dimethylaminodioxythio)oxyphenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[[4-(dimethylaminoperoxysulfanyloxy)phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[[4-(dimethylaminoperoxythio)oxybenzyl]-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)OOSOC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3

Isomeric SMILES

CN(C)OOSOC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3

InChI

InChI=1S/C18H18N6O3S/c1-22(2)26-27-28-25-18-9-5-16(6-10-18)12-24(23-13-20-21-14-23)17-7-3-15(11-19)4-8-17/h3-10,13-14H,12H2,1-2H3