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

Systemtic Name: 4-[[3-bromanyl-4-(dimethylaminoperoxysulfanyloxy)phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[[3-bromo-4-(dimethylaminoperoxysulfanyloxy)phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[[3-bromo-4-(dimethylaminodioxythio)oxyphenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[[3-bromo-4-(dimethylaminoperoxysulfanyloxy)phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[[3-bromo-4-(dimethylaminoperoxythio)oxy-benzyl]-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C18H17BrN6O3S MolecularWeight: 477.33498

Click to see the large picture

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)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN6O3S/c1-23(2)27-28-29-26-18-8-5-15(9-17(18)19)11-25(24-12-21-22-13-24)16-6-3-14(10-20)4-7-16/h3-9,12-13H,11H2,1-2H3