Chem
J-GLOBAL ID：200907024225865350   Nikkaji number：J2.169.240I

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

(3E,5E)-2-(メチルチオ)-5-(4-ブロモフェニル)-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： C22H17BrClN3OS
Molecular formula furigana： C22-H17-BR-CL-N3-O-S
Molecular weight： 486.810
InChI： InChI=1S/C22H17BrClN3OS/c1-14-21(22(28)27(26-14)18-5-3-4-17(24)12-18)20(11-10-19(13-25)29-2)15-6-8-16(23)9-7-15/h3-12,19H,1-2H3/b11-10+,21-20+
InChI key： JJAWFWZMRUVQEM-CMSHASNNSA-N
SMILES： CSC(/C=C/C(=C\1/C(=NN(C1=O)c1cccc(Cl)c1)C)/c1ccc(Br)cc1)C#N
Systematic name  (3)：
  • (3E,5E)-2-(メチルチオ)-5-(4-ブロモフェニル)-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-(4-ブロモフェニル)-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-エンニトリル
  • (3E)-5-(4-bromophenyl)-5-[(4E)-1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]-2-(methylsulfanyl)pent-3-enenitrile
Other name (1)：
  • (3E,5E)-2-(Methylthio)-5-(4-bromophenyl)-5-[1-(3-chlorophenyl)-3-methyl-5-oxo-2-pyrazoline-4-ylidene]-3-pentenenitrile
Thsaurus map：
Thesaurus Map

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