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

Systemtic Name: 7-chloranyl-3-(3-dodecylsulfonylpropyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole Openeye Name: 7-chloro-3-(3-dodecylsulfonylpropyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole CAS Name: 7-chloro-3-(3-dodecylsulfonylpropyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole IUPAC Name: 7-chloro-3-(3-dodecylsulfonylpropyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole Traditional Name: 7-chloro-3-(3-laurylsulfonylpropyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole Formula: C20H35ClN4O2S MolecularWeight: 431.0355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35ClN4O2S/c1-3-4-5-6-7-8-9-10-11-12-15-28(26,27)16-13-14-18-22-23-20-19(21)17(2)24-25(18)20/h24H,3-16H2,1-2H3