3-heptadecyl-1-octadecyl-5-(2,4,4-trimethylpentan-2-ylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-heptadecyl-1-octadecyl-5-(2,4,4-trimethylpentan-2-ylsulfanyl)-1,2,4-triazole Openeye Name: 3-heptadecyl-1-octadecyl-5-(1,1,3,3-tetramethylbutylsulfanyl)-1,2,4-triazole CAS Name: 3-heptadecyl-1-octadecyl-5-(2,4,4-trimethylpentan-2-ylthio)-1,2,4-triazole IUPAC Name: 3-heptadecyl-1-octadecyl-5-(2,4,4-trimethylpentan-2-ylsulfanyl)-1,2,4-triazole Traditional Name: 3-heptadecyl-1-stearyl-5-(1,1,3,3-tetramethylbutylthio)-1,2,4-triazole Formula: C45H89N3S MolecularWeight: 704.27326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NC(=N1)CCCCCCCCCCCCCCCCC)SC(C)(C)CC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NC(=N1)CCCCCCCCCCCCCCCCC)SC(C)(C)CC(C)(C)C

InChI

InChI=1S/C45H89N3S/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-48-43(49-45(6,7)41-44(3,4)5)46-42(47-48)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2/h8-41H2,1-7H3