Chem
J-GLOBAL ID:200907017908631030   Nikkaji number:J1.113.615J

3-(2-Chlorophenyl)-4-bromo-4-[[4-anilino-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-yl]thio]-2-isoxazoline-5-one

3-(2-クロロフェニル)-4-ブロモ-4-[[4-アニリノ-5-(4-クロロフェニル)-4H-1,2,4-トリアゾール-3-イル]チオ]-2-イソオキサゾリン-5-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: C23H14BrCl2N5O2S
Molecular formula furigana: C23-H14-BR-CL2-N5-O2-S
Molecular weight: 575.260
InChI: InChI=1S/C23H14BrCl2N5O2S/c24-23(19(30-33-21(23)32)17-8-4-5-9-18(17)26)34-22-28-27-20(14-10-12-15(25)13-11-14)31(22)29-16-6-2-1-3-7-16/h1-13,29H
InChI key: XHYFGIVQGITEEN-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)c1nnc(SC2(Br)C(=O)ON=C2c2ccccc2Cl)n1Nc1ccccc1
Systematic name  (3):
  • 3-(2-クロロフェニル)-4-ブロモ-4-[[4-アニリノ-5-(4-クロロフェニル)-4H-1,2,4-トリアゾール-3-イル]チオ]-2-イソオキサゾリン-5-オン
  • 4-ブロモ-3-(2-クロロフェニル)-4-{[5-(4-クロロフェニル)-4-(フェニルアミノ)-4H-1,2,4-トリアゾール-3-イル]スルファニル}-4,5-ジヒドロ-1,2-オキサゾール-5-オン
  • 4-bromo-3-(2-chlorophenyl)-4-{[5-(4-chlorophenyl)-4-(phenylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-4,5-dihydro-1,2-oxazol-5-one
Other name (1):
  • 3-(2-Chlorophenyl)-4-bromo-4-[[4-anilino-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-yl]thio]-2-isoxazoline-5-one
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