Chem
J-GLOBAL ID:200907006808614543   Nikkaji number:J1.743.843C

(4R)-1-Methyl-2-(phenylthio)-4β-[1-methyl-2-(phenylthio)-5-imidazolyl]-5α,6β-bis(tert-butyldiphenylsiloxymethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

(4R)-1-メチル-2-(フェニルチオ)-4β-[1-メチル-2-(フェニルチオ)-5-イミダゾリル]-5α,6β-ビス(tert-ブチルジフェニルシロキシメチル)-4,5,6,7-テトラヒドロ-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: C58H64N4O2S2Si2
Molecular formula furigana: C58-H64-N4-O2-S2-SI2
Molecular weight: 969.470
InChI: InChI=1S/C58H64N4O2S2Si2/c1-57(2,3)67(46-31-19-11-20-32-46,47-33-21-12-22-34-47)63-41-43-39-51-54(60-56(61(51)7)66-45-29-17-10-18-30-45)53(52-40-59-55(62(52)8)65-44-27-15-9-16-28-44)50(43)42-64-68(58(4,5)6,48-35-23-13-24-36-48)49-37-25-14-26-38-49/h9-38,40,43,50,53H,39,41-42H2,1-8H3/t43-,50-,53-/m1/s1
InChI key: RRRJXEBSVUWSMJ-GJXQYPJASA-N
SMILES: Cn1c(Sc2ccccc2)nc2[C@H]([C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)Cc12)c1cnc(Sc2ccccc2)n1C
Systematic name  (4):
  • (4R)-1-メチル-2-(フェニルチオ)-4β-[1-メチル-2-(フェニルチオ)-5-イミダゾリル]-5α,6β-ビス(tert-ブチルジフェニルシロキシメチル)-4,5,6,7-テトラヒドロ-1H-ベンゾイミダゾール
  • (4R,5S,6S)-1-メチル-2-(フェニルチオ)-4-[1-メチル-2-(フェニルチオ)-5-イミダゾリル]-5,6-ビス(tert-ブチルジフェニルシリルオキシメチル)-4,5,6,7-テトラヒドロ-1H-ベンゾイミダゾール
  • (4R,5S,6S)-5,6-ビス({[(tert-ブチルジフェニルシリル)オキシ]メチル})-1-メチル-4-[1-メチル-2-(フェニルスルファニル)-1H-イミダゾール-5-イル]-2-(フェニルスルファニル)-4,5,6,7-テトラヒドロ-1H-1,3-ベンゾジアゾール
  • (4R,5S,6S)-5,6-bis({[(tert-butyldiphenylsilyl)oxy]methyl})-1-methyl-4-[1-methyl-2-(phenylsulfanyl)-1H-imidazol-5-yl]-2-(phenylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
Other name (2):
  • (4R)-1-Methyl-2-(phenylthio)-4β-[1-methyl-2-(phenylthio)-5-imidazolyl]-5α,6β-bis(tert-butyldiphenylsiloxymethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
  • (4R,5S,6S)-1-Methyl-2-(phenylthio)-4-[1-methyl-2-(phenylthio)-5-imidazolyl]-5,6-bis(tert-butyldiphenylsilyloxymethyl)-4,5,6,7-tetrahydro-1H-benzoimidazole
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