4-[[4-(dimethylaminoperoxysulfanyloxy)-3-methoxy-phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(dimethylaminoperoxysulfanyloxy)-3-methoxy-phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[[4-(dimethylaminoperoxysulfanyloxy)-3-methoxy-phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[[4-(dimethylaminodioxythio)oxy-3-methoxyphenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[[4-(dimethylaminoperoxysulfanyloxy)-3-methoxyphenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[[4-(dimethylaminoperoxythio)oxy-3-methoxy-benzyl]-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O4S/c1-23(2)28-29-30-27-18-9-6-16(10-19(18)26-3)12-25(24-13-21-22-14-24)17-7-4-15(11-20)5-8-17/h4-10,13-14H,12H2,1-3H3