Chem
J-GLOBAL ID：201307076823103610   Nikkaji number：J3.165.354A

3-(3-Chloro-4-fluorophenyl)-1,5-diphenyl-2,3,4,5-tetrahydro-1,2,4,5-tetrazine-5-ium

3-(3-クロロ-4-フルオロフェニル)-1,5-ジフェニル-2,3,4,5-テトラヒドロ-1,2,4,5-テトラジン-5-イウム
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： C20H17ClFN3[N+]
Molecular formula furigana： C20-H17-CL-F-N4
Molecular weight： 367.830
InChI： InChI=1S/C20H17ClFN4/c21-18-13-15(11-12-19(18)22)20-23-25(16-7-3-1-4-8-16)14-26(24-20)17-9-5-2-6-10-17/h1-14,20,23-24H/q+1
InChI key： LOJUPIBVURSKAS-UHFFFAOYSA-N
SMILES： Fc1ccc(cc1Cl)C1NN(C=[N+](N1)c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 3-(3-クロロ-4-フルオロフェニル)-1,5-ジフェニル-2,3,4,5-テトラヒドロ-1,2,4,5-テトラジン-5-イウム
  • 3-(3-クロロ-4-フルオロフェニル)-1,5-ジフェニル-2,3,4,5-テトラヒドロ-1λ5,2,4,5-テトラジン-1-イリウム
  • 3-(3-chloro-4-fluorophenyl)-1,5-diphenyl-2,3,4,5-tetrahydro-1λ5,2,4,5-tetrazin-1-ylium
Other name (1)：
  • 3-(3-Chloro-4-fluorophenyl)-1,5-diphenyl-2,3,4,5-tetrahydro-1,2,4,5-tetrazine-5-ium
Thsaurus map：
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