6-tert-butyl-3-[1-[[2-octoxy-5-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole

Systemtic Name: 6-tert-butyl-3-[1-[[2-octoxy-5-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole Openeye Name: 6-tert-butyl-3-[1-methyl-2-[[2-octoxy-5-[[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]ethyl]-5H-pyrazolo[5,1-c][1,2,4]triazole CAS Name: 6-tert-butyl-3-[1-[[2-octoxy-5-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole IUPAC Name: 6-tert-butyl-3-[1-[[2-octoxy-5-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole Traditional Name: 6-tert-butyl-3-[1-methyl-2-[[2-octoxy-5-[[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]ethyl]-5H-pyrazolo[5,1-c][1,2,4]triazole Formula: C47H76N6O6S2 MolecularWeight: 885.27294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)OS(=O)NC2=CC(=C(C=C2)OCCCCCCCC)OS(=O)NCC(C)C3=NN=C4N3NC(=C4)C(C)(C)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)OS(=O)NC2=CC(=C(C=C2)OCCCCCCCC)OS(=O)NCC(C)C3=NN=C4N3NC(=C4)C(C)(C)C

InChI

InChI=1S/C47H76N6O6S2/c1-12-14-16-18-20-22-28-56-38-26-24-36(47(10,11)34-45(4,5)6)30-40(38)59-61(55)52-37-25-27-39(57-29-23-21-19-17-15-13-2)41(31-37)58-60(54)48-33-35(3)44-50-49-43-32-42(46(7,8)9)51-53(43)44/h24-27,30-32,35,48,51-52H,12-23,28-29,33-34H2,1-11H3