2-butyl-7-chloranyl-6-(5-dodecylsulfanylperoxy-2-methyl-pentan-2-yl)-5H-pyrazolo[1,5-b][1,2,4]triazole

Systemtic Name: 2-butyl-7-chloranyl-6-(5-dodecylsulfanylperoxy-2-methyl-pentan-2-yl)-5H-pyrazolo[1,5-b][1,2,4]triazole Openeye Name: 2-butyl-7-chloro-6-(4-dodecylsulfanylperoxy-1,1-dimethyl-butyl)-5H-pyrazolo[1,5-b][1,2,4]triazole CAS Name: 1-dodecanesulfenic acid IUPAC Name: 2-butyl-7-chloro-6-(5-dodecylsulfanylperoxy-2-methylpentan-2-yl)-5H-pyrazolo[1,5-b][1,2,4]triazole Traditional Name: 2-butyl-7-chloro-6-[4-(laurylthio)peroxy-1,1-dimethyl-butyl]-5H-pyrazolo[1,5-b][1,2,4]triazole Formula: C26H47ClN4O2S MolecularWeight: 515.19498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSOOCCCC(C)(C)C1=C(C2=NC(=NN2N1)CCCC)Cl

Isomeric SMILES

CCCCCCCCCCCCSOOCCCC(C)(C)C1=C(C2=NC(=NN2N1)CCCC)Cl

InChI

InChI=1S/C26H47ClN4O2S/c1-5-7-9-10-11-12-13-14-15-16-21-34-33-32-20-17-19-26(3,4)24-23(27)25-28-22(18-8-6-2)29-31(25)30-24/h30H,5-21H2,1-4H3