Chem
J-GLOBAL ID：200907013061506114   Nikkaji number：J2.169.233F

(3E,5E)-2-(Methylthio)-5-phenyl-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-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： C23H21ClN2O3S
Molecular formula furigana： C23-H21-CL-N2-O3-S
Molecular weight： 440.940
InChI： InChI=1S/C23H21ClN2O3S/c1-15-21(22(27)26(25-15)18-11-7-10-17(24)14-18)19(16-8-5-4-6-9-16)12-13-20(30-3)23(28)29-2/h4-14,20H,1-3H3/b13-12+,21-19+
InChI key： XCIUSJBYGJEYKE-NQCCGESRSA-N
SMILES： COC(=O)C(SC)/C=C/C(=C\1/C(=NN(C1=O)c1cccc(Cl)c1)C)/c1ccccc1
Systematic name  (3)：
  • (3E,5E)-2-(メチルチオ)-5-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]-2-(メチルスルファニル)-5-フェニルペンタ-3-エノアート
  • methyl (3E)-5-[(4E)-1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]-2-(methylsulfanyl)-5-phenylpent-3-enoate
Other name (1)：
  • (3E,5E)-2-(Methylthio)-5-phenyl-5-[1-(3-chlorophenyl)-3-methyl-5-oxo-2-pyrazoline-4-ylidene]-3-pentenoic acid methyl ester
Thsaurus map：
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