Chem
J-GLOBAL ID：200907036639565780   Nikkaji number：J1.743.842E

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

(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]-4,5,6,7-テトラヒドロ-1H-ベンゾイミダゾール-5α,6β-ジメタノール
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： C26H28N4O2S2
Molecular formula furigana： C26-H28-N4-O2-S2
Molecular weight： 492.660
InChI： InChI=1S/C26H28N4O2S2/c1-29-21-13-17(15-31)20(16-32)23(24(21)28-26(29)34-19-11-7-4-8-12-19)22-14-27-25(30(22)2)33-18-9-5-3-6-10-18/h3-12,14,17,20,23,31-32H,13,15-16H2,1-2H3/t17-,20-,23-/m1/s1
InChI key： VFQDAVDUNLLXBF-HCLVMJGWSA-N
SMILES： Cn1c(Sc2ccccc2)ncc1[C@H]1[C@H](CO)[C@@H](CO)Cc2c1nc(Sc1ccccc1)n2C
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]-4,5,6,7-テトラヒドロ-1H-ベンゾイミダゾール-5α,6β-ジメタノール
  • (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]-4,5,6,7-テトラヒドロ-1H-ベンゾイミダゾール-5,6-ビスメタノール
  • [(4R,5S,6S)-5-(ヒドロキシメチル)-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-6-イル]メタノール
  • [(4R,5S,6S)-5-(hydroxymethyl)-1-methyl-4-[1-methyl-2-(phenylsulfanyl)-1H-imidazol-5-yl]-2-(phenylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-6-yl]methanol
Other name (2)：
  • (4R)-1-Methyl-2-(phenylthio)-4β-[1-methyl-2-(phenylthio)-5-imidazolyl]-4,5,6,7-tetrahydro-1H-benzimidazole-5α,6β-dimethanol
  • (4R,5S,6S)-1-Methyl-2-(phenylthio)-4-[1-methyl-2-(phenylthio)-5-imidazolyl]-4,5,6,7-tetrahydro-1H-benzoimidazole-5,6-bismethanol
Thsaurus map：
Thesaurus Map

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