2-[3-(dodecyldisulfanyl)-5-octyl-1,2,4-triazol-4-yl]pyridine

Systemtic Name: 2-[3-(dodecyldisulfanyl)-5-octyl-1,2,4-triazol-4-yl]pyridine Openeye Name: 2-[3-(dodecyldisulfanyl)-5-octyl-1,2,4-triazol-4-yl]pyridine CAS Name: 2-[3-(dodecyldisulfanyl)-5-octyl-1,2,4-triazol-4-yl]pyridine IUPAC Name: 2-[3-(dodecyldisulfanyl)-5-octyl-1,2,4-triazol-4-yl]pyridine Traditional Name: 2-[3-(lauryldisulfanyl)-5-octyl-1,2,4-triazol-4-yl]pyridine Formula: C27H46N4S2 MolecularWeight: 490.81094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSSC1=NN=C(N1C2=CC=CC=N2)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSSC1=NN=C(N1C2=CC=CC=N2)CCCCCCCC

InChI

InChI=1S/C27H46N4S2/c1-3-5-7-9-11-12-13-14-16-20-24-32-33-27-30-29-26(22-17-15-10-8-6-4-2)31(27)25-21-18-19-23-28-25/h18-19,21,23H,3-17,20,22,24H2,1-2H3