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

Systemtic Name: 6-tert-butyl-7-chloranyl-3-(dodecylsulfonylmethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole Openeye Name: 6-tert-butyl-7-chloro-3-(dodecylsulfonylmethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole CAS Name: 6-tert-butyl-7-chloro-3-(dodecylsulfonylmethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole IUPAC Name: 6-tert-butyl-7-chloro-3-(dodecylsulfonylmethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole Traditional Name: 6-tert-butyl-7-chloro-3-(laurylsulfonylmethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole Formula: C21H37ClN4O2S MolecularWeight: 445.06208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)CC1=NN=C2N1NC(=C2Cl)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)CC1=NN=C2N1NC(=C2Cl)C(C)(C)C

InChI

InChI=1S/C21H37ClN4O2S/c1-5-6-7-8-9-10-11-12-13-14-15-29(27,28)16-17-23-24-20-18(22)19(21(2,3)4)25-26(17)20/h25H,5-16H2,1-4H3