6-tert-butyl-7-chloranyl-3-(3-dodecylsulfanylperoxypropyl)-5H-pyrazolo[5,1-c][1,2,4]triazole

Systemtic Name: 6-tert-butyl-7-chloranyl-3-(3-dodecylsulfanylperoxypropyl)-5H-pyrazolo[5,1-c][1,2,4]triazole Openeye Name: 6-tert-butyl-7-chloro-3-(3-dodecylsulfanylperoxypropyl)-5H-pyrazolo[5,1-c][1,2,4]triazole CAS Name: 1-dodecanesulfenic acid IUPAC Name: 6-tert-butyl-7-chloro-3-(3-dodecylsulfanylperoxypropyl)-5H-pyrazolo[5,1-c][1,2,4]triazole Traditional Name: 6-tert-butyl-7-chloro-3-[3-(laurylthio)peroxypropyl]-5H-pyrazolo[5,1-c][1,2,4]triazole Formula: C23H41ClN4O2S MolecularWeight: 473.11524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSOOCCCC1=NN=C2N1NC(=C2Cl)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCSOOCCCC1=NN=C2N1NC(=C2Cl)C(C)(C)C

InChI

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