Chem
J-GLOBAL ID：201507069290878761   Nikkaji number：J3.357.002C

N-(4-Fluorophenyl)-6-[2-(dihydroxyboryl)benzylthio]nicotinamide

N-(4-フルオロフェニル)-6-[2-(ジヒドロキシボリル)ベンジルチオ]ニコチンアミド
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： C19H16BFN2O3S
Molecular formula furigana： C19-H16-B-F-N2-O3-S
Molecular weight： 382.220
InChI： InChI=1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
InChI key： VZRIHFZJVIOJBE-UHFFFAOYSA-N
SMILES： OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Systematic name  (3)：
  • N-(4-フルオロフェニル)-6-[2-(ジヒドロキシボリル)ベンジルチオ]ニコチンアミド
  • {2-[({5-[(4-フルオロフェニル)カルバモイル]ピリジン-2-イル}スルファニル)メチル]フェニル}ボロン酸
  • {2-[({5-[(4-fluorophenyl)carbamoyl]pyridin-2-yl}sulfanyl)methyl]phenyl}boronic acid
Other name (1)：
  • N-(4-Fluorophenyl)-6-[2-(dihydroxyboryl)benzylthio]nicotinamide
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