5-heptadecyl-3-(2,4,4-trimethylpentan-2-yldisulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-heptadecyl-3-(2,4,4-trimethylpentan-2-yldisulfanyl)-1H-1,2,4-triazole Openeye Name: 5-heptadecyl-3-(1,1,3,3-tetramethylbutyldisulfanyl)-1H-1,2,4-triazole CAS Name: 5-heptadecyl-3-(2,4,4-trimethylpentan-2-yldisulfanyl)-1H-1,2,4-triazole IUPAC Name: 5-heptadecyl-3-(2,4,4-trimethylpentan-2-yldisulfanyl)-1H-1,2,4-triazole Traditional Name: 5-heptadecyl-3-(1,1,3,3-tetramethylbutyldisulfanyl)-1H-1,2,4-triazole Formula: C27H53N3S2 MolecularWeight: 483.85982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC(=NN1)SSC(C)(C)CC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NC(=NN1)SSC(C)(C)CC(C)(C)C

InChI

InChI=1S/C27H53N3S2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-25(30-29-24)31-32-27(5,6)23-26(2,3)4/h7-23H2,1-6H3,(H,28,29,30)