Chem
J-GLOBAL ID：201407079568860549   Nikkaji number：J3.303.258G

1-Tosyl-3-[(phenylthio)methyl]-4-[(1H-imidazole-1-yl)methyl]-1H-pyrrole

1-トシル-3-[(フェニルチオ)メチル]-4-[(1H-イミダゾール-1-イル)メチル]-1H-ピロール
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： C22H21N3O2S2
Molecular formula furigana： C22-H21-N3-O2-S2
Molecular weight： 423.550
InChI： InChI=1S/C22H21N3O2S2/c1-18-7-9-22(10-8-18)29(26,27)25-14-19(13-24-12-11-23-17-24)20(15-25)16-28-21-5-3-2-4-6-21/h2-12,14-15,17H,13,16H2,1H3
InChI key： VCYWLJZSGDQFLK-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)n1cc(CSc2ccccc2)c(Cn2ccnc2)c1
Systematic name  (3)：
  • 1-トシル-3-[(フェニルチオ)メチル]-4-[(1H-イミダゾール-1-イル)メチル]-1H-ピロール
  • 1-{[1-(4-メチルベンゼンスルホニル)-4-[(フェニルスルファニル)メチル]-1H-ピロール-3-イル]メチル}-1H-イミダゾール
  • 1-{[1-(4-methylbenzenesulfonyl)-4-[(phenylsulfanyl)methyl]-1H-pyrrol-3-yl]methyl}-1H-imidazole
Other name (1)：
  • 1-Tosyl-3-[(phenylthio)methyl]-4-[(1H-imidazole-1-yl)methyl]-1H-pyrrole
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