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

Systemtic Name: 5-dec-9-enyl-3-pentylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-dec-9-enyl-3-pentylsulfanyl-1H-1,2,4-triazole CAS Name: 5-dec-9-enyl-3-(pentylthio)-1H-1,2,4-triazole IUPAC Name: 5-dec-9-enyl-3-pentylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(amylthio)-5-dec-9-enyl-1H-1,2,4-triazole Formula: C17H31N3S MolecularWeight: 309.51314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NNC(=N1)CCCCCCCCC=C

Isomeric SMILES

CCCCCSC1=NNC(=N1)CCCCCCCCC=C

InChI

InChI=1S/C17H31N3S/c1-3-5-7-8-9-10-11-12-14-16-18-17(20-19-16)21-15-13-6-4-2/h3H,1,4-15H2,2H3,(H,18,19,20)