Chem
J-GLOBAL ID：200907013530113960   Nikkaji number：J1.254.159G

AG-879

AG-879
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： C18H24N2OS
Molecular formula furigana： C18-H24-N2-O-S
Molecular weight： 316.460
InChI： InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+
InChI key： XRZYELWZLNAXGE-KPKJPENVSA-N
SMILES： CC(C)(C)c1cc(/C=C(\C#N)/C(=S)N)cc(c1O)C(C)(C)C
Systematic name  (3)：
  • α-シアノ-3,5-ジ-tert-ブチル-4-ヒドロキシチオシンナムアミド
  • (2E)-2-シアノ-3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロパ-2-エンチオアミド
  • (2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enethioamide
Other name (2)：
  • α-Cyano-3,5-di-tert-butyl-4-hydroxythiocinnamamide
  • AG-879
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