4-cyclododecyl-3-heptadecyl-5-octadecylsulfanyl-1,2,4-triazole

Systemtic Name: 4-cyclododecyl-3-heptadecyl-5-octadecylsulfanyl-1,2,4-triazole Openeye Name: 4-cyclododecyl-3-heptadecyl-5-octadecylsulfanyl-1,2,4-triazole CAS Name: 4-cyclododecyl-3-heptadecyl-5-(octadecylthio)-1,2,4-triazole IUPAC Name: 4-cyclododecyl-3-heptadecyl-5-octadecylsulfanyl-1,2,4-triazole Traditional Name: 4-cyclododecyl-3-heptadecyl-5-(stearylthio)-1,2,4-triazole Formula: C49H95N3S MolecularWeight: 758.3637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2CCCCCCCCCCC2)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2CCCCCCCCCCC2)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H95N3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-38-42-46-53-49-51-50-48(52(49)47-43-39-35-31-27-26-28-32-36-40-44-47)45-41-37-33-29-24-22-20-18-16-14-12-10-8-6-4-2/h47H,3-46H2,1-2H3