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

Systemtic Name: 2,6-ditert-butyl-4-[2-pyridin-4-ylethylsulfanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[2-(4-pyridyl)ethylsulfanyl-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[mercapto-(2-pyridin-4-ylethylthio)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[2-pyridin-4-ylethylsulfanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[mercapto-[2-(4-pyridyl)ethylthio]methylene]cyclohexa-2,5-dien-1-one Formula: C22H29NOS2 MolecularWeight: 387.60176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S)SCCC2=CC=NC=C2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(S)SCCC2=CC=NC=C2)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C22H29NOS2/c1-21(2,3)17-13-16(14-18(19(17)24)22(4,5)6)20(25)26-12-9-15-7-10-23-11-8-15/h7-8,10-11,13-14,25H,9,12H2,1-6H3