3-(4-hexyl-5-octylsulfanyl-1,2,4-triazol-3-yl)piperidine

Systemtic Name: 3-(4-hexyl-5-octylsulfanyl-1,2,4-triazol-3-yl)piperidine Openeye Name: 3-(4-hexyl-5-octylsulfanyl-1,2,4-triazol-3-yl)piperidine CAS Name: 3-[4-hexyl-5-(octylthio)-1,2,4-triazol-3-yl]piperidine IUPAC Name: 3-(4-hexyl-5-octylsulfanyl-1,2,4-triazol-3-yl)piperidine Traditional Name: 3-[4-hexyl-5-(octylthio)-1,2,4-triazol-3-yl]piperidine Formula: C21H40N4S MolecularWeight: 380.6341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NN=C(N1CCCCCC)C2CCCNC2

Isomeric SMILES

CCCCCCCCSC1=NN=C(N1CCCCCC)C2CCCNC2

InChI

InChI=1S/C21H40N4S/c1-3-5-7-9-10-12-17-26-21-24-23-20(19-14-13-15-22-18-19)25(21)16-11-8-6-4-2/h19,22H,3-18H2,1-2H3