Chem
J-GLOBAL ID：200907052634548343   Nikkaji number：J417.794K

[(S,E)-4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene](1H-imidazol-1-yl)acetonitrile

[(S,E)-4-(2-クロロフェニル)-1,3-ジチオラン-2-イリデン](1H-イミダゾール-1-イル)アセトニトリル
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： C14H10ClN3S2
Molecular formula furigana： C14-H10-CL-N3-S2
Molecular weight： 319.830
InChI： InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2/b14-12+/t13-/m1/s1
InChI key： ZRTQSJFIDWNVJW-MNWMYKRDSA-N
SMILES： Clc1ccccc1[C@H]1CS/C(=C(/C#N)\n2ccnc2)/S1
Systematic name  (3)：
  • [(S,E)-4-(2-クロロフェニル)-1,3-ジチオラン-2-イリデン](1H-イミダゾール-1-イル)アセトニトリル
  • 2-[(2E,4S)-4-(2-クロロフェニル)-1,3-ジチオラン-2-イリデン]-2-(1H-イミダゾール-1-イル)アセトニトリル
  • 2-[(2E,4S)-4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1H-imidazol-1-yl)acetonitrile
Other name (1)：
  • [(S,E)-4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene](1H-imidazol-1-yl)acetonitrile
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