Chem
J-GLOBAL ID：200907043332731956   Nikkaji number：J1.026.880J

4,5-Dihydro-1-(thiocarbamoyl)-3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-5-ol

4,5-ジヒドロ-1-(チオカルバモイル)-3-(4-ニトロフェニル)-5-(トリフルオロメチル)-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： C11H9F3N3[N+]O2[O-]S
Molecular formula furigana： C11-H9-F3-N4-O3-S
Molecular weight： 334.270
InChI： InChI=1S/C11H9F3N4O3S/c12-11(13,14)10(19)5-8(16-17(10)9(15)22)6-1-3-7(4-2-6)18(20)21/h1-4,19H,5H2,(H2,15,22)
InChI key： OSEFVATZGOAQJZ-UHFFFAOYSA-N
SMILES： NC(=S)N1N=C(CC1(O)C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 4,5-ジヒドロ-1-(チオカルバモイル)-3-(4-ニトロフェニル)-5-(トリフルオロメチル)-1H-ピラゾール-5-オール
  • 5-ヒドロキシ-3-(4-ニトロフェニル)-5-(トリフルオロメチル)-4,5-ジヒドロ-1H-ピラゾール-1-カルボチオアミド
  • 5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Other name (1)：
  • 4,5-Dihydro-1-(thiocarbamoyl)-3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-5-ol
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