Chem
J-GLOBAL ID：200907091848926154   Nikkaji number：J2.086.857K

DAS-645

1-tert-ブチル-4-(2-クロロ-4-メタンスルホニルベンゾイル)-3-(2,4-ジクロロフェニル)-1H-ピラゾール-5-オール
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： C21H19Cl3N2O4S
Molecular formula furigana： C21-H19-CL3-N2-O4-S
Molecular weight： 501.800
InChI： InChI=1S/C21H19Cl3N2O4S/c1-21(2,3)26-20(28)17(18(25-26)13-7-5-11(22)9-15(13)23)19(27)14-8-6-12(10-16(14)24)31(4,29)30/h5-10,28H,1-4H3
InChI key： HVZVWLVEDDWLOA-UHFFFAOYSA-N
SMILES： CC(C)(C)n1nc(c(C(=O)c2ccc(cc2Cl)S(=O)(=O)C)c1O)c1ccc(Cl)cc1Cl
Systematic name  (3)：
  • [2-クロロ-4-(メチルスルホニル)フェニル][1-tert-ブチル-3-(2,4-ジクロロフェニル)-5-ヒドロキシ-1H-ピラゾール-4-イル]ケトン
  • 1-tert-ブチル-4-(2-クロロ-4-メタンスルホニルベンゾイル)-3-(2,4-ジクロロフェニル)-1H-ピラゾール-5-オール
  • 1-tert-butyl-4-(2-chloro-4-methanesulfonylbenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrazol-5-ol
Other name (2)：
  • [2-Chloro-4-(methylsulfonyl)phenyl][1-tert-butyl-3-(2,4-dichlorophenyl)-5-hydroxy-1H-pyrazole-4-yl] ketone
  • DAS-645
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