7-chloranyl-2-(3-hexadecylsulfonylpropyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole

Systemtic Name: 7-chloranyl-2-(3-hexadecylsulfonylpropyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole Openeye Name: 7-chloro-2-(3-hexadecylsulfonylpropyl)-6-isopropyl-5H-pyrazolo[1,5-b][1,2,4]triazole CAS Name: 7-chloro-2-(3-hexadecylsulfonylpropyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole IUPAC Name: 7-chloro-2-(3-hexadecylsulfonylpropyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole Traditional Name: 2-(3-cetylsulfonylpropyl)-7-chloro-6-isopropyl-5H-pyrazolo[1,5-b][1,2,4]triazole Formula: C26H47ClN4O2S MolecularWeight: 515.19498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)CCCC1=NN2C(=N1)C(=C(N2)C(C)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)CCCC1=NN2C(=N1)C(=C(N2)C(C)C)Cl

InChI

InChI=1S/C26H47ClN4O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34(32,33)21-18-19-23-28-26-24(27)25(22(2)3)30-31(26)29-23/h22,30H,4-21H2,1-3H3