Chem
J-GLOBAL ID：200907025847517975   Nikkaji number：J1.430.396K

(3R)-1-(4-Imidazolylmethyl)-3β-benzyl-4-(2-thienylsulfonyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile

(3R)-1-(4-イミダゾリルメチル)-3β-ベンジル-4-(2-チエニルスルホニル)-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-7-カルボニトリル
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： C25H23N5O2S2
Molecular formula furigana： C25-H23-N5-O2-S2
Molecular weight： 489.610
InChI： InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1
InChI key： OLCWFLWEHWLBTO-HSZRJFAPSA-N
SMILES： O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N)c1cccs1
Systematic name  (5)：
  • (3R)-3-ベンジル-4-(2-チエニルスルホニル)-1-(1H-イミダゾール-5-イルメチル)-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-7-カルボニトリル
  • (3R)-1-(4-イミダゾリルメチル)-3β-ベンジル-4-(2-チエニルスルホニル)-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-7-カルボニトリル
  • (3R)-1-(5-イミダゾリルメチル)-3-ベンジル-4-[(2-チエニル)スルホニル]2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-7-カルボニトリル
  • (3R)-3-ベンジル-1-[(1H-イミダゾール-5-イル)メチル]-4-(チオフェン-2-スルホニル)-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-7-カルボニトリル
  • (3R)-3-benzyl-1-[(1H-imidazol-5-yl)methyl]-4-(thiophene-2-sulfonyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile
Other name (3)：
  • (3R)-3-Benzyl-4-(2-thienylsulfonyl)-1-(1H-imidazole-5-ylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile
  • (3R)-1-(4-Imidazolylmethyl)-3β-benzyl-4-(2-thienylsulfonyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile
  • (3R)-1-(5-Imidazolylmethyl)-3-benzyl-4-[(2-thienyl)sulfonyl]2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile
Thsaurus map：
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