3-[[3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-phenyl]methyl]-5-dodecylsulfanyl-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-phenyl]methyl]-5-dodecylsulfanyl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[3,5-bis(1,1-dimethylhexyl)-4-hydroxy-phenyl]methyl]-5-dodecylsulfanyl-1,3,4-oxadiazole-2-thione CAS Name: 5-(dodecylthio)-3-[[4-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-dodecylsulfanyl-3-[[4-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 3-[3,5-bis(1,1-dimethylhexyl)-4-hydroxy-benzyl]-5-(laurylthio)-1,3,4-oxadiazole-2-thione Formula: C37H64N2O2S2 MolecularWeight: 633.04626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NN(C(=S)O1)CC2=CC(=C(C(=C2)C(C)(C)CCCCC)O)C(C)(C)CCCCC

Isomeric SMILES

CCCCCCCCCCCCSC1=NN(C(=S)O1)CC2=CC(=C(C(=C2)C(C)(C)CCCCC)O)C(C)(C)CCCCC

InChI

InChI=1S/C37H64N2O2S2/c1-8-11-14-15-16-17-18-19-20-23-26-43-34-38-39(35(42)41-34)29-30-27-31(36(4,5)24-21-12-9-2)33(40)32(28-30)37(6,7)25-22-13-10-3/h27-28,40H,8-26,29H2,1-7H3