Chem
J-GLOBAL ID：201407000279986997   Nikkaji number：J3.303.259E

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

1-[[1-トシル-4-[(フェニルチオ)メチル]-1H-ピロール-3-イル]メチル]-1H-ベンゾイミダゾール
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： C26H23N3O2S2
Molecular formula furigana： C26-H23-N3-O2-S2
Molecular weight： 473.610
InChI： InChI=1S/C26H23N3O2S2/c1-20-11-13-24(14-12-20)33(30,31)29-16-21(15-28-19-27-25-9-5-6-10-26(25)28)22(17-29)18-32-23-7-3-2-4-8-23/h2-14,16-17,19H,15,18H2,1H3
InChI key： QHDKVRWZBCKVOZ-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)n1cc(CSc2ccccc2)c(Cn2cnc3ccccc23)c1
Systematic name  (3)：
  • 1-[[1-トシル-4-[(フェニルチオ)メチル]-1H-ピロール-3-イル]メチル]-1H-ベンゾイミダゾール
  • 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-1,3-ベンゾジアゾール
  • 1-{[1-(4-methylbenzenesulfonyl)-4-[(phenylsulfanyl)methyl]-1H-pyrrol-3-yl]methyl}-1H-1,3-benzodiazole
Other name (1)：
  • 1-[[1-Tosyl-4-[(phenylthio)methyl]-1H-pyrrole-3-yl]methyl]-1H-benzoimidazole
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