4-[[3-bromanyl-4-(dimethylaminoperoxysulfanyloxy)-5-methoxy-phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[[3-bromanyl-4-(dimethylaminoperoxysulfanyloxy)-5-methoxy-phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[[3-bromo-4-(dimethylaminoperoxysulfanyloxy)-5-methoxy-phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[[3-bromo-4-(dimethylaminodioxythio)oxy-5-methoxyphenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[[3-bromo-4-(dimethylaminoperoxysulfanyloxy)-5-methoxyphenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[[3-bromo-4-(dimethylaminoperoxythio)oxy-5-methoxy-benzyl]-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C19H19BrN6O4S MolecularWeight: 507.36096

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)OOSOC1=C(C=C(C=C1Br)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)OC

Isomeric SMILES

CN(C)OOSOC1=C(C=C(C=C1Br)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)OC

InChI

InChI=1S/C19H19BrN6O4S/c1-24(2)29-30-31-28-19-17(20)8-15(9-18(19)27-3)11-26(25-12-22-23-13-25)16-6-4-14(10-21)5-7-16/h4-9,12-13H,11H2,1-3H3