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

Systemtic Name: 7-chloranyl-6-methyl-3-(2-octadecylsulfonylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazole Openeye Name: 7-chloro-6-methyl-3-(1-methyl-1-octadecylsulfonyl-ethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole CAS Name: 7-chloro-6-methyl-3-(2-octadecylsulfonylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazole IUPAC Name: 7-chloro-6-methyl-3-(2-octadecylsulfonylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazole Traditional Name: 7-chloro-6-methyl-3-(1-methyl-1-stearylsulfonyl-ethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole Formula: C26H47ClN4O2S MolecularWeight: 515.19498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCS(=O)(=O)C(C)(C)C1=NN=C2N1NC(=C2Cl)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCS(=O)(=O)C(C)(C)C1=NN=C2N1NC(=C2Cl)C

InChI

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