Chem
J-GLOBAL ID:200907032948086360   Nikkaji number:J456.014K

1,3-Dihydro-4-(2-pyridylthio)-5-nitrospiro[2H-benzimidazole-2,1′-cyclohexane]

1,3-ジヒドロ-4-(2-ピリジルチオ)-5-ニトロスピロ[2H-ベンゾイミダゾール-2,1′-シクロヘキサン]
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: C17H18N3[N+]O[O-]S
Molecular formula furigana: C17-H18-N4-O2-S
Molecular weight: 342.420
InChI: InChI=1S/C17H18N4O2S/c22-21(23)13-8-7-12-15(16(13)24-14-6-2-5-11-18-14)20-17(19-12)9-3-1-4-10-17/h2,5-8,11,19-20H,1,3-4,9-10H2
InChI key: MVGGTJHPQNUNDG-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc2NC3(CCCCC3)Nc2c1Sc1ccccn1
Systematic name  (3):
  • 1,3-ジヒドロ-4-(2-ピリジルチオ)-5-ニトロスピロ[2H-ベンゾイミダゾール-2,1′-シクロヘキサン]
  • 6-ニトロ-7-(ピリジン-2-イルスルファニル)-1,3-ジヒドロスピロ[1,3-ベンゾジアゾール-2,1'-シクロヘキサン]
  • 6-nitro-7-(pyridin-2-ylsulfanyl)-1,3-dihydrospiro[1,3-benzodiazole-2,1'-cyclohexane]
Other name (1):
  • 1,3-Dihydro-4-(2-pyridylthio)-5-nitrospiro[2H-benzimidazole-2,1′-cyclohexane]
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