2,6-ditert-butyl-4-[pyridin-2-ylmethylsulfanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[pyridin-2-ylmethylsulfanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[2-pyridylmethylsulfanyl(sulfanyl)methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[mercapto-(2-pyridinylmethylthio)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[pyridin-2-ylmethylsulfanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[mercapto-(2-pyridylmethylthio)methylene]cyclohexa-2,5-dien-1-one Formula: C21H27NOS2 MolecularWeight: 373.57518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S)SCC2=CC=CC=N2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(S)SCC2=CC=CC=N2)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H27NOS2/c1-20(2,3)16-11-14(12-17(18(16)23)21(4,5)6)19(24)25-13-15-9-7-8-10-22-15/h7-12,24H,13H2,1-6H3