Chem
J-GLOBAL ID:200907034793344378   Nikkaji number:J1.743.839E

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

(4R)-1,5α,6β-トリメチル-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
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: C26H28N4S2
Molecular formula furigana: C26-H28-N4-S2
Molecular weight: 460.660
InChI: InChI=1S/C26H28N4S2/c1-17-15-21-24(28-26(29(21)3)32-20-13-9-6-10-14-20)23(18(17)2)22-16-27-25(30(22)4)31-19-11-7-5-8-12-19/h5-14,16-18,23H,15H2,1-4H3/t17-,18+,23+/m0/s1
InChI key: LUOPCYHXWOQVGS-YZZKKUAISA-N
SMILES: C[C@H]1Cc2c(nc(Sc3ccccc3)n2C)[C@H]([C@@H]1C)c1cnc(Sc2ccccc2)n1C
Systematic name  (3):
  • (4R)-1,5α,6β-トリメチル-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
  • (4R,5R,6S)-1,5,6-トリメチル-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,5R,6S)-1,5,6-trimethyl-4-[1-methyl-2-(phenylsulfanyl)-1H-imidazol-5-yl]-2-(phenylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
Other name (1):
  • (4R)-1,5α,6β-Trimethyl-2-(phenylthio)-4β-[1-methyl-2-(phenylthio)-5-imidazolyl]-4,5,6,7-tetrahydro-1H-benzimidazole
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