Chem
J-GLOBAL ID:200907043714592417   Nikkaji number:J574.657D

2-Mercapto-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-1-methyl-1H-imidazol-4(5H)-one

2-メルカプト-5-(3,5-ジ-tert-ブチル-4-ヒドロキシベンジリデン)-1-メチル-1H-イミダゾール-4(5H)-オン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C19H26N2O2S
Molecular formula furigana: C19-H26-N2-O2-S
Molecular weight: 346.490
InChI: InChI=1S/C19H26N2O2S/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(24)21(14)7/h8-10,22H,1-7H3,(H,20,23,24)
InChI key: AADLAGXMYDHEAD-UHFFFAOYSA-N
SMILES: CN1C(=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)S
Systematic name  (3):
  • 2-メルカプト-5-(3,5-ジ-tert-ブチル-4-ヒドロキシベンジリデン)-1-メチル-1H-イミダゾール-4(5H)-オン
  • 5-[(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)メチリデン]-1-メチル-2-スルファニル-4,5-ジヒドロ-1H-イミダゾール-4-オン
  • 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-1-methyl-2-sulfanyl-4,5-dihydro-1H-imidazol-4-one
Other name (1):
  • 2-Mercapto-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-1-methyl-1H-imidazol-4(5H)-one
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