Chem
J-GLOBAL ID：200907048305555803   Nikkaji number：J1.390.216J

(3S)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-3-phenyl-1-butanone

(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-1-ブタノン
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： C21H21NO2S
Molecular formula furigana： C21-H21-N-O2-S
Molecular weight： 351.460
InChI： InChI=1S/C21H21NO2S/c1-16-10-12-19(13-11-16)25(24)21-9-6-14-22(21)20(23)15-17(2)18-7-4-3-5-8-18/h3-14,17H,15H2,1-2H3/t17-,25?/m0/s1
InChI key： CDZXEMXTJHIFIZ-LFUZPPSTSA-N
SMILES： C[C@@H](CC(=O)n1cccc1S(=O)c1ccc(C)cc1)c1ccccc1
Systematic name  (4)：
  • (S)-1-[2-[(4-メチルフェニル)スルフィニル]-1H-ピロール-1-イル]-3-フェニルブタン-1-オン
  • (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-1-ブタノン
  • (3S)-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-フェニルブタン-1-オン
  • (3S)-1-[2-(4-methylbenzenesulfinyl)-1H-pyrrol-1-yl]-3-phenylbutan-1-one
Other name (2)：
  • (S)-1-[2-[(4-Methylphenyl)sulfinyl]-1H-pyrrole-1-yl]-3-phenylbutane-1-one
  • (3S)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-3-phenyl-1-butanone
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