Chem
J-GLOBAL ID：200907005213703635   Nikkaji number：J1.616.057A

(3S)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-3-methyl-1-heptanone

(3S)-1-[2-(p-トリルスルフィニル)-1H-ピロール-1-イル]-3-メチル-1-ヘプタノン
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： C19H25NO2S
Molecular formula furigana： C19-H25-N-O2-S
Molecular weight： 331.470
InChI： InChI=1S/C19H25NO2S/c1-4-5-7-16(3)14-18(21)20-13-6-8-19(20)23(22)17-11-9-15(2)10-12-17/h6,8-13,16H,4-5,7,14H2,1-3H3/t16-,23?/m0/s1
InChI key： QJLHUOGRIHIAFB-GZWBLTSWSA-N
SMILES： CCCC[C@H](C)CC(=O)n1cccc1S(=O)c1ccc(C)cc1
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-メチル-1-ヘプタノン
  • (3S)-3-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]ヘプタン-1-オン
  • (3S)-3-methyl-1-[2-(4-methylbenzenesulfinyl)-1H-pyrrol-1-yl]heptan-1-one
Other name (1)：
  • (3S)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-3-methyl-1-heptanone
Thsaurus map：
Thesaurus Map

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