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

Systemtic Name: 5-octyl-3-octylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-octyl-3-octylsulfanyl-1H-1,2,4-triazole CAS Name: 5-octyl-3-(octylthio)-1H-1,2,4-triazole IUPAC Name: 5-octyl-3-octylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-octyl-3-(octylthio)-1H-1,2,4-triazole Formula: C18H35N3S MolecularWeight: 325.5556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NN1)SCCCCCCCC

Isomeric SMILES

CCCCCCCCC1=NC(=NN1)SCCCCCCCC

InChI

InChI=1S/C18H35N3S/c1-3-5-7-9-11-13-15-17-19-18(21-20-17)22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,19,20,21)