5-dec-9-enyl-3-hexadecylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-dec-9-enyl-3-hexadecylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-dec-9-enyl-3-hexadecylsulfanyl-1H-1,2,4-triazole CAS Name: 5-dec-9-enyl-3-(hexadecylthio)-1H-1,2,4-triazole IUPAC Name: 5-dec-9-enyl-3-hexadecylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(cetylthio)-5-dec-9-enyl-1H-1,2,4-triazole Formula: C28H53N3S MolecularWeight: 463.80552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NNC(=N1)CCCCCCCCC=C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NNC(=N1)CCCCCCCCC=C

InChI

InChI=1S/C28H53N3S/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-32-28-29-27(30-31-28)25-23-21-19-12-10-8-6-4-2/h4H,2-3,5-26H2,1H3,(H,29,30,31)