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

Systemtic Name: 2,6-ditert-butyl-4-[3-(dodecyldisulfanyl)-4-piperidin-2-yl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[3-(dodecyldisulfanyl)-4-(2-piperidyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[3-(dodecyldisulfanyl)-4-(2-piperidinyl)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[3-(dodecyldisulfanyl)-4-piperidin-2-yl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[3-(lauryldisulfanyl)-4-(2-piperidyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C33H56N4OS2 MolecularWeight: 588.95394

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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)N1C3CCCCN3

Isomeric SMILES

CCCCCCCCCCCCSSC1=NNC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1C3CCCCN3

InChI

InChI=1S/C33H56N4OS2/c1-8-9-10-11-12-13-14-15-16-19-22-39-40-31-36-35-30(37(31)28-20-17-18-21-34-28)25-23-26(32(2,3)4)29(38)27(24-25)33(5,6)7/h23-24,28,34-35H,8-22H2,1-7H3