Chem
J-GLOBAL ID：200907090398963724   Nikkaji number：J752.548F

2-(Methylthio)-3-(p-chlorophenyl)-9-amino-1,4,6,7,9a-pentaaza-9aH-benz[f]indene-5,8(6H,7H)-dione

2-(メチルチオ)-3-(p-クロロフェニル)-9-アミノ-1,4,6,7,9a-ペンタアザ-9aH-ベンゾ[f]インデン-5,8(6H,7H)-ジオン
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： C15H11ClN6O2S
Molecular formula furigana： C15-H11-CL-N6-O2-S
Molecular weight： 374.800
InChI： InChI=1S/C15H11ClN6O2S/c1-25-15-8(6-2-4-7(16)5-3-6)12-18-10-9(11(17)22(12)21-15)13(23)19-20-14(10)24/h2-5H,17H2,1H3,(H,19,23)(H,20,24)
InChI key： LNMXQGZLYWEQJR-UHFFFAOYSA-N
SMILES： CSc1nn2c(N)c3c(nc2c1c1ccc(Cl)cc1)c(=O)[nH][nH]c3=O
Systematic name  (4)：
  • 2-(メチルチオ)-3-(p-クロロフェニル)-9-アミノ-1,4,6,7,9a-ペンタアザ-9aH-ベンゾ[f]インデン-5,8(6H,7H)-ジオン
  • 2-(メチルチオ)-3-(4-クロロフェニル)-9-アミノ-6,7-ジヒドロ-1,4,6,7,9a-ペンタアザ-9aH-ベンゾ[f]インデン-5,8-ジオン
  • 8-アミノ-4-(4-クロロフェニル)-5-(メチルスルファニル)-2,6,7,11,12-ペンタアザトリシクロ[7.4.0.03,7]トリデカ-1,3,5,8-テトラエン-10,13-ジオン
  • 8-amino-4-(4-chlorophenyl)-5-(methylsulfanyl)-2,6,7,11,12-pentaazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-10,13-dione
Other name (2)：
  • 2-(Methylthio)-3-(p-chlorophenyl)-9-amino-1,4,6,7,9a-pentaaza-9aH-benz[f]indene-5,8(6H,7H)-dione
  • 2-(Methylthio)-3-(4-chlorophenyl)-9-amino-6,7-dihydro-1,4,6,7,9a-pentaaza-9aH-benzo[f]indene-5,8-dione
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