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

Systemtic Name: 2,6-ditert-butyl-4-[phenylazanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[anilino(sulfanyl)methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[anilino(mercapto)methylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[anilino(sulfanyl)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[anilino(mercapto)methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C21H27NOS MolecularWeight: 341.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(NC2=CC=CC=C2)S)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(NC2=CC=CC=C2)S)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H27NOS/c1-20(2,3)16-12-14(13-17(18(16)23)21(4,5)6)19(24)22-15-10-8-7-9-11-15/h7-13,22,24H,1-6H3