7-chloranyl-6-(5-dodecylsulfanylperoxy-2-methyl-pentan-2-yl)-3-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole

Systemtic Name: 7-chloranyl-6-(5-dodecylsulfanylperoxy-2-methyl-pentan-2-yl)-3-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole Openeye Name: 7-chloro-6-(4-dodecylsulfanylperoxy-1,1-dimethyl-butyl)-3-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole CAS Name: 1-dodecanesulfenic acid IUPAC Name: 7-chloro-6-(5-dodecylsulfanylperoxy-2-methylpentan-2-yl)-3-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole Traditional Name: 7-chloro-6-[4-(laurylthio)peroxy-1,1-dimethyl-butyl]-3-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole Formula: C23H41ClN4O2S MolecularWeight: 473.11524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSOOCCCC(C)(C)C1=C(C2=NN=C(N2N1)C)Cl

Isomeric SMILES

CCCCCCCCCCCCSOOCCCC(C)(C)C1=C(C2=NN=C(N2N1)C)Cl

InChI

InChI=1S/C23H41ClN4O2S/c1-5-6-7-8-9-10-11-12-13-14-18-31-30-29-17-15-16-23(3,4)21-20(24)22-26-25-19(2)28(22)27-21/h27H,5-18H2,1-4H3