Chem
J-GLOBAL ID：200907045299382781   Nikkaji number：J2.169.234D

(3E,5E)-2-(Methylthio)-5-(4-chlorophenyl)-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-(4-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： C23H20Cl2N2O3S
Molecular formula furigana： C23-H20-CL2-N2-O3-S
Molecular weight： 475.380
InChI： InChI=1S/C23H20Cl2N2O3S/c1-14-21(22(28)27(26-14)18-6-4-5-17(25)13-18)19(15-7-9-16(24)10-8-15)11-12-20(31-3)23(29)30-2/h4-13,20H,1-3H3/b12-11+,21-19+
InChI key： ZBSNOSCKGOZBJT-XPZWEZJCSA-N
SMILES： COC(=O)C(SC)/C=C/C(=C\1/C(=NN(C1=O)c1cccc(Cl)c1)C)/c1ccc(Cl)cc1
Systematic name  (3)：
  • (3E,5E)-2-(メチルチオ)-5-(4-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-(4-クロロフェニル)-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]-2-(メチルスルファニル)ペンタ-3-エノアート
  • methyl (3E)-5-(4-chlorophenyl)-5-[(4E)-1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]-2-(methylsulfanyl)pent-3-enoate
Other name (1)：
  • (3E,5E)-2-(Methylthio)-5-(4-chlorophenyl)-5-[1-(3-chlorophenyl)-3-methyl-5-oxo-2-pyrazoline-4-ylidene]-3-pentenoic acid methyl ester
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