2,6-ditert-butyl-4-[2,3-dihydropyrrol-1-ylmethylsulfanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[2,3-dihydropyrrol-1-ylmethylsulfanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[2,3-dihydropyrrol-1-ylmethylsulfanyl(sulfanyl)methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[(2,3-dihydropyrrol-1-ylmethylthio)-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[2,3-dihydropyrrol-1-ylmethylsulfanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[mercapto-(2-pyrrolin-1-ylmethylthio)methylene]cyclohexa-2,5-dien-1-one Formula: C20H29NOS2 MolecularWeight: 363.58036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S)SCN2CCC=C2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(S)SCN2CCC=C2)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C20H29NOS2/c1-19(2,3)15-11-14(12-16(17(15)22)20(4,5)6)18(23)24-13-21-9-7-8-10-21/h7,9,11-12,23H,8,10,13H2,1-6H3