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

Systemtic Name: 2,6-ditert-butyl-4-[4-hexyl-3-(octadecyldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[4-hexyl-3-(octadecyldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[4-hexyl-3-(octadecyldisulfanyl)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[4-hexyl-3-(octadecyldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[4-hexyl-3-(stearyldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C40H71N3OS2 MolecularWeight: 674.14124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSSC1=NNC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSSC1=NNC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1CCCCCC

InChI

InChI=1S/C40H71N3OS2/c1-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-45-46-38-42-41-37(43(38)29-27-14-12-10-2)33-31-34(39(3,4)5)36(44)35(32-33)40(6,7)8/h31-32,41H,9-30H2,1-8H3