3-(cyclohexyldisulfanyl)-5-(2,2-dimethylpropyl)-4-octadecyl-1,2,4-triazole

Systemtic Name: 3-(cyclohexyldisulfanyl)-5-(2,2-dimethylpropyl)-4-octadecyl-1,2,4-triazole Openeye Name: 3-(cyclohexyldisulfanyl)-5-(2,2-dimethylpropyl)-4-octadecyl-1,2,4-triazole CAS Name: 3-(cyclohexyldisulfanyl)-5-(2,2-dimethylpropyl)-4-octadecyl-1,2,4-triazole IUPAC Name: 3-(cyclohexyldisulfanyl)-5-(2,2-dimethylpropyl)-4-octadecyl-1,2,4-triazole Traditional Name: 3-(cyclohexyldisulfanyl)-5-neopentyl-4-stearyl-1,2,4-triazole Formula: C31H59N3S2 MolecularWeight: 537.95026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SSC2CCCCC2)CC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SSC2CCCCC2)CC(C)(C)C

InChI

InChI=1S/C31H59N3S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-34-29(27-31(2,3)4)32-33-30(34)36-35-28-24-21-20-22-25-28/h28H,5-27H2,1-4H3