Chem
J-GLOBAL ID:200907026376040886   Nikkaji number:J660.197I

(5S)-4,5,6,7-Tetrahydro-5-isopropyl-6-(3-methyl-2-butenyl)-9-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione

(5S)-4,5,6,7-テトラヒドロ-5-イソプロピル-6-(3-メチル-2-ブテニル)-9-クロロイミダゾ[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: C18H24ClN3S
Molecular formula furigana: C18-H24-CL-N3-S
Molecular weight: 349.920
InChI: InChI=1S/C18H24ClN3S/c1-11(2)5-6-21-9-13-7-14(19)8-15-17(13)22(18(23)20-15)10-16(21)12(3)4/h5,7-8,12,16H,6,9-10H2,1-4H3,(H,20,23)/t16-/m1/s1
InChI key: SUEMHKHYAQQSNY-MRXNPFEDSA-N
SMILES: CC(C)[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S
Systematic name  (3):
  • (5S)-4,5,6,7-テトラヒドロ-5-イソプロピル-6-(3-メチル-2-ブテニル)-9-クロロイミダゾ[4,5,1-jk][1,4]ベンゾジアゼピン-2(1H)-チオン
  • (11S)-6-クロロ-10-(3-メチルブタ-2-エン-1-イル)-11-(プロパン-2-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
  • (11S)-6-chloro-10-(3-methylbut-2-en-1-yl)-11-(propan-2-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Other name (1):
  • (5S)-4,5,6,7-Tetrahydro-5-isopropyl-6-(3-methyl-2-butenyl)-9-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione
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