4-octadecyl-3-tridecyl-5-(2,4,4-trimethylpentan-2-yldisulfanyl)-1,2,4-triazole

Systemtic Name: 4-octadecyl-3-tridecyl-5-(2,4,4-trimethylpentan-2-yldisulfanyl)-1,2,4-triazole Openeye Name: 4-octadecyl-3-(1,1,3,3-tetramethylbutyldisulfanyl)-5-tridecyl-1,2,4-triazole CAS Name: 4-octadecyl-3-tridecyl-5-(2,4,4-trimethylpentan-2-yldisulfanyl)-1,2,4-triazole IUPAC Name: 4-octadecyl-3-tridecyl-5-(2,4,4-trimethylpentan-2-yldisulfanyl)-1,2,4-triazole Traditional Name: 4-stearyl-3-(1,1,3,3-tetramethylbutyldisulfanyl)-5-tridecyl-1,2,4-triazole Formula: C41H81N3S2 MolecularWeight: 680.23194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SSC(C)(C)CC(C)(C)C)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SSC(C)(C)CC(C)(C)C)CCCCCCCCCCCCC

InChI

InChI=1S/C41H81N3S2/c1-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-44-38(35-33-31-29-27-25-19-17-15-13-11-9-2)42-43-39(44)45-46-41(6,7)37-40(3,4)5/h8-37H2,1-7H3