N-[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(3-methylphenyl)sulfonyl-octadecanamide

Systemtic Name: N-[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(3-methylphenyl)sulfonyl-octadecanamide Openeye Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(m-tolylsulfonyl)octadecanamide CAS Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(3-methylphenyl)sulfonyloctadecanamide IUPAC Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(3-methylphenyl)sulfonyloctadecanamide Traditional Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(m-tolylsulfonyl)stearamide Formula: C39H56ClN5O3S MolecularWeight: 710.41164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)NC1=CC=CC(=C1)C2=NN3C(=N2)C(=C(N3)C(C)(C)C)Cl)S(=O)(=O)C4=CC=CC(=C4)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)NC1=CC=CC(=C1)C2=NN3C(=N2)C(=C(N3)C(C)(C)C)Cl)S(=O)(=O)C4=CC=CC(=C4)C

InChI

InChI=1S/C39H56ClN5O3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-33(49(47,48)32-25-20-22-29(2)27-32)38(46)41-31-24-21-23-30(28-31)36-42-37-34(40)35(39(3,4)5)43-45(37)44-36/h20-25,27-28,33,43H,6-19,26H2,1-5H3,(H,41,46)