3-hexadecylsulfanyl-5-octyl-1H-1,2,4-triazole

Systemtic Name: 3-hexadecylsulfanyl-5-octyl-1H-1,2,4-triazole Openeye Name: 3-hexadecylsulfanyl-5-octyl-1H-1,2,4-triazole CAS Name: 3-(hexadecylthio)-5-octyl-1H-1,2,4-triazole IUPAC Name: 3-hexadecylsulfanyl-5-octyl-1H-1,2,4-triazole Traditional Name: 3-(cetylthio)-5-octyl-1H-1,2,4-triazole Formula: C26H51N3S MolecularWeight: 437.76824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NNC(=N1)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NNC(=N1)CCCCCCCC

InChI

InChI=1S/C26H51N3S/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-30-26-27-25(28-29-26)23-21-19-10-8-6-4-2/h3-24H2,1-2H3,(H,27,28,29)