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

Systemtic Name: 5-dec-9-enyl-3-heptylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-dec-9-enyl-3-heptylsulfanyl-1H-1,2,4-triazole CAS Name: 5-dec-9-enyl-3-(heptylthio)-1H-1,2,4-triazole IUPAC Name: 5-dec-9-enyl-3-heptylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-dec-9-enyl-3-(heptylthio)-1H-1,2,4-triazole Formula: C19H35N3S MolecularWeight: 337.5663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NNC(=N1)CCCCCCCCC=C

Isomeric SMILES

CCCCCCCSC1=NNC(=N1)CCCCCCCCC=C

InChI

InChI=1S/C19H35N3S/c1-3-5-7-9-10-11-12-14-16-18-20-19(22-21-18)23-17-15-13-8-6-4-2/h3H,1,4-17H2,2H3,(H,20,21,22)