4-[4-octadecyl-3-(2,4,4-trimethylpentan-2-yldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-octadecyl-3-(2,4,4-trimethylpentan-2-yldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-octadecyl-3-(1,1,3,3-tetramethylbutyldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-octadecyl-3-(2,4,4-trimethylpentan-2-yldisulfanyl)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-octadecyl-3-(2,4,4-trimethylpentan-2-yldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-stearyl-3-(1,1,3,3-tetramethylbutyldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C34H59N3OS2 MolecularWeight: 589.98176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=C2C=CC(=O)C=C2)NN=C1SSC(C)(C)CC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=C2C=CC(=O)C=C2)NN=C1SSC(C)(C)CC(C)(C)C

InChI

InChI=1S/C34H59N3OS2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-37-31(29-23-25-30(38)26-24-29)35-36-32(37)39-40-34(5,6)28-33(2,3)4/h23-26,35H,7-22,27-28H2,1-6H3