7-chloranyl-3-(3-dodecylsulfonylpropyl)-6-ethyl-5H-pyrazolo[5,1-c][1,2,4]triazole

Systemtic Name: 7-chloranyl-3-(3-dodecylsulfonylpropyl)-6-ethyl-5H-pyrazolo[5,1-c][1,2,4]triazole Openeye Name: 7-chloro-3-(3-dodecylsulfonylpropyl)-6-ethyl-5H-pyrazolo[5,1-c][1,2,4]triazole CAS Name: 7-chloro-3-(3-dodecylsulfonylpropyl)-6-ethyl-5H-pyrazolo[5,1-c][1,2,4]triazole IUPAC Name: 7-chloro-3-(3-dodecylsulfonylpropyl)-6-ethyl-5H-pyrazolo[5,1-c][1,2,4]triazole Traditional Name: 7-chloro-6-ethyl-3-(3-laurylsulfonylpropyl)-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)CCCC1=NN=C2N1NC(=C2Cl)CC

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)CCCC1=NN=C2N1NC(=C2Cl)CC

InChI

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