Chem
J-GLOBAL ID：200907031120198877   Nikkaji number：J2.169.239E

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

(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： C22H18ClN3OS
Molecular formula furigana： C22-H18-CL-N3-O-S
Molecular weight： 407.920
InChI： InChI=1S/C22H18ClN3OS/c1-15-21(22(27)26(25-15)18-10-6-9-17(23)13-18)20(12-11-19(14-24)28-2)16-7-4-3-5-8-16/h3-13,19H,1-2H3/b12-11+,21-20+
InChI key： XFSFGOVNLDZCPD-JUSBKWKTSA-N
SMILES： CSC(/C=C/C(=C\1/C(=NN(C1=O)c1cccc(Cl)c1)C)/c1ccccc1)C#N
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]-2-(メチルスルファニル)-5-フェニルペンタ-3-エンニトリル
  • (3E)-5-[(4E)-1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]-2-(methylsulfanyl)-5-phenylpent-3-enenitrile
Other name (1)：
  • (3E,5E)-2-(Methylthio)-5-phenyl-5-[1-(3-chlorophenyl)-3-methyl-5-oxo-2-pyrazoline-4-ylidene]-3-pentenenitrile
Thsaurus map：
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