4-[4,6-bis(octylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4,6-bis(octylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4,6-bis(octylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[4,6-bis(octylthio)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4,6-bis(octylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[4,6-bis(octylthio)-1H-s-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C33H55N3OS2 MolecularWeight: 573.9393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1)SCCCCCCCC

Isomeric SMILES

CCCCCCCCSC1=NC(=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1)SCCCCCCCC

InChI

InChI=1S/C33H55N3OS2/c1-9-11-13-15-17-19-21-38-30-34-29(35-31(36-30)39-22-20-18-16-14-12-10-2)25-23-26(32(3,4)5)28(37)27(24-25)33(6,7)8/h23-24H,9-22H2,1-8H3,(H,34,35,36)