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

Systemtic Name: 6-tert-butyl-3-(3-dodecylsulfonylpropyl)-5H-pyrazolo[5,1-c][1,2,4]triazole Openeye Name: 6-tert-butyl-3-(3-dodecylsulfonylpropyl)-5H-pyrazolo[5,1-c][1,2,4]triazole CAS Name: 6-tert-butyl-3-(3-dodecylsulfonylpropyl)-5H-pyrazolo[5,1-c][1,2,4]triazole IUPAC Name: 6-tert-butyl-3-(3-dodecylsulfonylpropyl)-5H-pyrazolo[5,1-c][1,2,4]triazole Traditional Name: 6-tert-butyl-3-(3-laurylsulfonylpropyl)-5H-pyrazolo[5,1-c][1,2,4]triazole Formula: C23H42N4O2S MolecularWeight: 438.67018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)CCCC1=NN=C2N1NC(=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)CCCC1=NN=C2N1NC(=C2)C(C)(C)C

InChI

InChI=1S/C23H42N4O2S/c1-5-6-7-8-9-10-11-12-13-14-17-30(28,29)18-15-16-21-24-25-22-19-20(23(2,3)4)26-27(21)22/h19,26H,5-18H2,1-4H3