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

Systemtic Name: 2,6-ditert-butyl-4-[1H-pyrrol-2-ylmethylsulfanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[1H-pyrrol-2-ylmethylsulfanyl(sulfanyl)methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[mercapto-(1H-pyrrol-2-ylmethylthio)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[1H-pyrrol-2-ylmethylsulfanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[mercapto-(1H-pyrrol-2-ylmethylthio)methylene]cyclohexa-2,5-dien-1-one Formula: C20H27NOS2 MolecularWeight: 361.56448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S)SCC2=CC=CN2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(S)SCC2=CC=CN2)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C20H27NOS2/c1-19(2,3)15-10-13(11-16(17(15)22)20(4,5)6)18(23)24-12-14-8-7-9-21-14/h7-11,21,23H,12H2,1-6H3