3,5-bis(dodecylsulfanyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3,5-bis(dodecylsulfanyl)-4-methyl-1,2,4-triazole Openeye Name: 3,5-bis(dodecylsulfanyl)-4-methyl-1,2,4-triazole CAS Name: 3,5-bis(dodecylthio)-4-methyl-1,2,4-triazole IUPAC Name: 3,5-bis(dodecylsulfanyl)-4-methyl-1,2,4-triazole Traditional Name: 3,5-bis(laurylthio)-4-methyl-1,2,4-triazole Formula: C27H53N3S2 MolecularWeight: 483.85982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NN=C(N1C)SCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSC1=NN=C(N1C)SCCCCCCCCCCCC

InChI

InChI=1S/C27H53N3S2/c1-4-6-8-10-12-14-16-18-20-22-24-31-26-28-29-27(30(26)3)32-25-23-21-19-17-15-13-11-9-7-5-2/h4-25H2,1-3H3