3-dodecan-2-ylsulfanyl-5-heptadecyl-4-octadecyl-1,2,4-triazole

Systemtic Name: 3-dodecan-2-ylsulfanyl-5-heptadecyl-4-octadecyl-1,2,4-triazole Openeye Name: 3-heptadecyl-5-(1-methylundecylsulfanyl)-4-octadecyl-1,2,4-triazole CAS Name: 3-(dodecan-2-ylthio)-5-heptadecyl-4-octadecyl-1,2,4-triazole IUPAC Name: 3-dodecan-2-ylsulfanyl-5-heptadecyl-4-octadecyl-1,2,4-triazole Traditional Name: 3-heptadecyl-5-(1-methylundecylthio)-4-stearyl-1,2,4-triazole Formula: C49H97N3S MolecularWeight: 760.37958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SC(C)CCCCCCCCCC)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SC(C)CCCCCCCCCC)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H97N3S/c1-5-8-11-14-17-20-22-24-26-28-30-32-34-37-40-43-46-52-48(45-42-39-36-33-31-29-27-25-23-21-18-15-12-9-6-2)50-51-49(52)53-47(4)44-41-38-35-19-16-13-10-7-3/h47H,5-46H2,1-4H3