Chem
J-GLOBAL ID：200907044388861344   Nikkaji number：J2.169.238G

(3E,5E)-2-(Methylthio)-5-(2-thienyl)-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-(2-チエニル)-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： C21H19ClN2O3S2
Molecular formula furigana： C21-H19-CL-N2-O3-S2
Molecular weight： 446.960
InChI： InChI=1S/C21H19ClN2O3S2/c1-13-19(20(25)24(23-13)15-7-4-6-14(22)12-15)16(17-8-5-11-29-17)9-10-18(28-3)21(26)27-2/h4-12,18H,1-3H3/b10-9+,19-16+
InChI key： JVWJTGCPDQBXPJ-VWYRQOSOSA-N
SMILES： COC(=O)C(SC)/C=C/C(=C\1/C(=NN(C1=O)c1cccc(Cl)c1)C)/c1cccs1
Systematic name  (3)：
  • (3E,5E)-2-(メチルチオ)-5-(2-チエニル)-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-(チオフェン-2-イル)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-(thiophen-2-yl)pent-3-enoate
Other name (1)：
  • (3E,5E)-2-(Methylthio)-5-(2-thienyl)-5-[1-(3-chlorophenyl)-3-methyl-5-oxo-2-pyrazoline-4-ylidene]-3-pentenoic acid methyl ester
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