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

Systemtic Name: 4-[4,6-bis(octylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-dimethyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4,6-bis(octylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-dimethyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[4,6-bis(octylthio)-1H-1,3,5-triazin-2-ylidene]-2,6-dimethyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4,6-bis(octylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one Traditional Name: 4-[4,6-bis(octylthio)-1H-s-triazin-2-ylidene]-2,6-dimethyl-cyclohexa-2,5-dien-1-one Formula: C27H43N3OS2 MolecularWeight: 489.77982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N3OS2/c1-5-7-9-11-13-15-17-32-26-28-25(23-19-21(3)24(31)22(4)20-23)29-27(30-26)33-18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3,(H,28,29,30)