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

Systemtic Name: 7-chloranyl-6-methyl-3-(2-methyl-1-octadecylsulfonyl-propan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazole Openeye Name: 7-chloro-3-(1,1-dimethyl-2-octadecylsulfonyl-ethyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole CAS Name: 7-chloro-6-methyl-3-(2-methyl-1-octadecylsulfonylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazole IUPAC Name: 7-chloro-6-methyl-3-(2-methyl-1-octadecylsulfonylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazole Traditional Name: 7-chloro-3-(1,1-dimethyl-2-stearylsulfonyl-ethyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole Formula: C27H49ClN4O2S MolecularWeight: 529.22156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49ClN4O2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35(33,34)22-27(3,4)26-30-29-25-24(28)23(2)31-32(25)26/h31H,5-22H2,1-4H3