Chem
J-GLOBAL ID:200907007722338337   Nikkaji number:J336.281G

1-Amino-4-(p-nitrobenzyl)-1H-1,2,4-triazole-5(4H)-thione

1-アミノ-4-(p-ニトロベンジル)-1H-1,2,4-トリアゾール-5(4H)-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: C9H9N4[N+]O[O-]S
Molecular formula furigana: C9-H9-N5-O2-S
Molecular weight: 251.260
InChI: InChI=1S/C9H9N5O2S/c10-13-9(17)12(6-11-13)5-7-1-3-8(4-2-7)14(15)16/h1-4,6H,5,10H2
InChI key: BTXNWCAUOBORIM-UHFFFAOYSA-N
SMILES: Nn1ncn(Cc2ccc(cc2)[N+](=O)[O-])c1=S
Systematic name  (3):
  • 1-アミノ-4-(p-ニトロベンジル)-1H-1,2,4-トリアゾール-5(4H)-チオン
  • 1-アミノ-4-[(4-ニトロフェニル)メチル]-4,5-ジヒドロ-1H-1,2,4-トリアゾール-5-チオン
  • 1-amino-4-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione
Other name (1):
  • 1-Amino-4-(p-nitrobenzyl)-1H-1,2,4-triazole-5(4H)-thione
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