Chem
J-GLOBAL ID：200907043275143813   Nikkaji number：J1.572.197I

(5R)-5β-Methyl-6-(3-methyl-2-butenyl)-8-chloro-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione

(5R)-5β-メチル-6-(3-メチル-2-ブテニル)-8-クロロ-4,5,6,7-テトラヒドロイミダゾ[4,5,1-jk][1,4]ベンゾジアゼピン-2(1H)-チオン
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： C16H20ClN3S
Molecular formula furigana： C16-H20-CL-N3-S
Molecular weight： 321.870
InChI： InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m1/s1
InChI key： ZNFFMCYSMBXZQU-LLVKDONJSA-N
SMILES： C[C@@H]1Cn2c3c(CN1CC=C(C)C)c(Cl)ccc3[nH]c2=S
Systematic name  (3)：
  • (5R)-5β-メチル-6-(3-メチル-2-ブテニル)-8-クロロ-4,5,6,7-テトラヒドロイミダゾ[4,5,1-jk][1,4]ベンゾジアゼピン-2(1H)-チオン
  • (11R)-7-クロロ-11-メチル-10-(3-メチルブタ-2-エン-1-イル)-1,3,10-トリアザトリシクロ[6.4.1.04,13]トリデカ-4,6,8(13)-トリエン-2-チオン
  • (11R)-7-chloro-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Other name (1)：
  • (5R)-5β-Methyl-6-(3-methyl-2-butenyl)-8-chloro-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione
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