Chem
J-GLOBAL ID：200907022983301057   Nikkaji number：J2.169.241G

(3E,5E)-2-(Methylthio)-5-(4-methoxyphenyl)-5-[1-(3-chlorophenyl)-3-methyl-5-oxo-2-pyrazoline-4-ylidene]-3-pentenenitrile

(3E,5E)-2-(メチルチオ)-5-(4-メトキシフェニル)-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-ペンテンニトリル
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： C23H20ClN3O2S
Molecular formula furigana： C23-H20-CL-N3-O2-S
Molecular weight： 437.940
InChI： InChI=1S/C23H20ClN3O2S/c1-15-22(23(28)27(26-15)18-6-4-5-17(24)13-18)21(12-11-20(14-25)30-3)16-7-9-19(29-2)10-8-16/h4-13,20H,1-3H3/b12-11+,22-21+
InChI key： YOAXEUYYDHLSDQ-HOQAWBCNSA-N
SMILES： COc1ccc(cc1)/C(=C/1\C(=NN(C1=O)c1cccc(Cl)c1)C)/C=C/C(SC)C#N
Systematic name  (3)：
  • (3E,5E)-2-(メチルチオ)-5-(4-メトキシフェニル)-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-ペンテンニトリル
  • (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-(4-メトキシフェニル)-2-(メチルスルファニル)ペンタ-3-エンニトリル
  • (3E)-5-[(4E)-1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]-5-(4-methoxyphenyl)-2-(methylsulfanyl)pent-3-enenitrile
Other name (1)：
  • (3E,5E)-2-(Methylthio)-5-(4-methoxyphenyl)-5-[1-(3-chlorophenyl)-3-methyl-5-oxo-2-pyrazoline-4-ylidene]-3-pentenenitrile
Thsaurus map：
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