Chem
J-GLOBAL ID：200907053344768141   Nikkaji number：J742.771I

4-[[(2R,4R)-2-[2-(4-Chlorophenyl)ethyl]-2β-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4β-yl]methylthio]benzenamine

4-[[(2R,4R)-2-[2-(4-クロロフェニル)エチル]-2β-(1H-イミダゾール-1-イルメチル)-1,3-ジオキソラン-4β-イル]メチルチオ]ベンゼンアミン
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： C22H24ClN3O2S
Molecular formula furigana： C22-H24-CL-N3-O2-S
Molecular weight： 429.960
InChI： InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1
InChI key： VYNIUBZKEWJOJP-IFMALSPDSA-N
SMILES： Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Systematic name  (3)：
  • 4-[[(2R,4R)-2-[2-(4-クロロフェニル)エチル]-2β-(1H-イミダゾール-1-イルメチル)-1,3-ジオキソラン-4β-イル]メチルチオ]ベンゼンアミン
  • 4-({[(2R,4R)-2-[2-(4-クロロフェニル)エチル]-2-[(1H-イミダゾール-1-イル)メチル]-1,3-ジオキソラン-4-イル]メチル}スルファニル)アニリン
  • 4-({[(2R,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methyl}sulfanyl)aniline
Other name (1)：
  • 4-[[(2R,4R)-2-[2-(4-Chlorophenyl)ethyl]-2β-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4β-yl]methylthio]benzenamine
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