Chem
J-GLOBAL ID：200907048759319020   Nikkaji number：J1.792.756F

4-[(1S,2R)-1-(1H-1,2,4-Triazole-1-yl)-2-hydroxy-3-(4-fluorophenyl)propyl]benzonitrile

4-[(1S,2R)-1-(1H-1,2,4-トリアゾール-1-イル)-2-ヒドロキシ-3-(4-フルオロフェニル)プロピル]ベンゾニトリル
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： C18H15FN4O
Molecular formula furigana： C18-H15-F-N4-O
Molecular weight： 322.343
InChI： InChI=1S/C18H15FN4O/c19-16-7-3-13(4-8-16)9-17(24)18(23-12-21-11-22-23)15-5-1-14(10-20)2-6-15/h1-8,11-12,17-18,24H,9H2/t17-,18+/m1/s1
InChI key： SLJZVZKQYSKYNV-MSOLQXFVSA-N
SMILES： O[C@H](Cc1ccc(F)cc1)[C@H](c1ccc(cc1)C#N)n1cncn1
Systematic name  (3)：
  • 4-[(1S,2R)-3-(4-フルオロフェニル)-2-ヒドロキシ-1-(1H-1,2,4-トリアゾール-1-イル)プロピル]ベンゾニトリル
  • 4-[(1S,2R)-1-(1H-1,2,4-トリアゾール-1-イル)-2-ヒドロキシ-3-(4-フルオロフェニル)プロピル]ベンゾニトリル
  • 4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl]benzonitrile
Other name (2)：
  • 4-[(1S,2R)-3-(4-Fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazole-1-yl)propyl]benzonitrile
  • 4-[(1S,2R)-1-(1H-1,2,4-Triazole-1-yl)-2-hydroxy-3-(4-fluorophenyl)propyl]benzonitrile
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