2,6-ditert-butyl-4-[3-(dodecyldisulfanyl)-4-propyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[3-(dodecyldisulfanyl)-4-propyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[3-(dodecyldisulfanyl)-4-propyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[3-(dodecyldisulfanyl)-4-propyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[3-(dodecyldisulfanyl)-4-propyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[3-(lauryldisulfanyl)-4-propyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C31H53N3OS2 MolecularWeight: 547.90202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSSC1=NNC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1CCC

Isomeric SMILES

CCCCCCCCCCCCSSC1=NNC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1CCC

InChI

InChI=1S/C31H53N3OS2/c1-9-11-12-13-14-15-16-17-18-19-21-36-37-29-33-32-28(34(29)20-10-2)24-22-25(30(3,4)5)27(35)26(23-24)31(6,7)8/h22-23,32H,9-21H2,1-8H3