Chem
J-GLOBAL ID：200907046412277929   Nikkaji number：J1.616.047D

(3S)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-3-phenyl-4-methyl-1-pentanone

(3S)-1-[2-(p-トリルスルフィニル)-1H-ピロール-1-イル]-3-フェニル-4-メチル-1-ペンタノン
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： C23H25NO2S
Molecular formula furigana： C23-H25-N-O2-S
Molecular weight： 379.520
InChI： InChI=1S/C23H25NO2S/c1-17(2)21(19-8-5-4-6-9-19)16-22(25)24-15-7-10-23(24)27(26)20-13-11-18(3)12-14-20/h4-15,17,21H,16H2,1-3H3/t21-,27?/m0/s1
InChI key： OFDLCOGAGPJLKO-LWAJAQLZSA-N
SMILES： CC(C)[C@H](CC(=O)n1cccc1S(=O)c1ccc(C)cc1)c1ccccc1
Systematic name  (3)：
  • (3S)-1-[2-(p-トリルスルフィニル)-1H-ピロール-1-イル]-3-フェニル-4-メチル-1-ペンタノン
  • (3S)-4-メチル-1-[2-(4-メチルベンゼンスルフィニル)-1H-ピロール-1-イル]-3-フェニルペンタン-1-オン
  • (3S)-4-methyl-1-[2-(4-methylbenzenesulfinyl)-1H-pyrrol-1-yl]-3-phenylpentan-1-one
Other name (1)：
  • (3S)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-3-phenyl-4-methyl-1-pentanone
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