Chem
J-GLOBAL ID：200907008152085304   Nikkaji number：J2.169.236K

(3E,5E)-2-(Methylthio)-5-(3,4-dichlorophenyl)-5-[1-(3-chlorophenyl)-3-methyl-5-oxo-2-pyrazoline-4-ylidene]-3-pentenoic acid methyl ester

(3E,5E)-2-(メチルチオ)-5-(3,4-ジクロロフェニル)-5-[1-(3-クロロフェニル)-3-メチル-5-オキソ-2-ピラゾリン-4-イリデン]-3-ペンテン酸メチル
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： C23H19Cl3N2O3S
Molecular formula furigana： C23-H19-CL3-N2-O3-S
Molecular weight： 509.830
InChI： InChI=1S/C23H19Cl3N2O3S/c1-13-21(22(29)28(27-13)16-6-4-5-15(24)12-16)17(8-10-20(32-3)23(30)31-2)14-7-9-18(25)19(26)11-14/h4-12,20H,1-3H3/b10-8+,21-17+
InChI key： UYTALVZNNBRFAO-PJUFNGOOSA-N
SMILES： COC(=O)C(SC)/C=C/C(=C\1/C(=NN(C1=O)c1cccc(Cl)c1)C)/c1ccc(Cl)c(Cl)c1
Systematic name  (3)：
  • (3E,5E)-2-(メチルチオ)-5-(3,4-ジクロロフェニル)-5-[1-(3-クロロフェニル)-3-メチル-5-オキソ-2-ピラゾリン-4-イリデン]-3-ペンテン酸メチル
  • メチル (3E)-5-[(4E)-1-(3-クロロフェニル)-3-メチル-5-オキソ-4,5-ジヒドロ-1H-ピラゾール-4-イリデン]-5-(3,4-ジクロロフェニル)-2-(メチルスルファニル)ペンタ-3-エノアート
  • methyl (3E)-5-[(4E)-1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]-5-(3,4-dichlorophenyl)-2-(methylsulfanyl)pent-3-enoate
Other name (1)：
  • (3E,5E)-2-(Methylthio)-5-(3,4-dichlorophenyl)-5-[1-(3-chlorophenyl)-3-methyl-5-oxo-2-pyrazoline-4-ylidene]-3-pentenoic acid methyl ester
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