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

Systemtic Name: 4-[4,6-bis(hexylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4,6-bis(hexylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[4,6-bis(hexylthio)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4,6-bis(hexylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[4,6-bis(hexylthio)-1H-s-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C29H47N3OS2 MolecularWeight: 517.83298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1)SCCCCCC

Isomeric SMILES

CCCCCCSC1=NC(=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1)SCCCCCC

InChI

InChI=1S/C29H47N3OS2/c1-9-11-13-15-17-34-26-30-25(31-27(32-26)35-18-16-14-12-10-2)21-19-22(28(3,4)5)24(33)23(20-21)29(6,7)8/h19-20H,9-18H2,1-8H3,(H,30,31,32)