Chem
J-GLOBAL ID:200907007959570960   Nikkaji number:J1.240.015B

1-(2-Methyl-5-nitro-1H-imidazole-1-yl)-3-[[3-(2-furanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-5-yl]thio]-2-propanol

1-(2-メチル-5-ニトロ-1H-イミダゾール-1-イル)-3-[[3-(2-フラニル)-4-(4-フルオロフェニル)-4H-1,2,4-トリアゾール-5-イル]チオ]-2-プロパノール
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: C19H17FN5[N+]O3[O-]S
Molecular formula furigana: C19-H17-F-N6-O4-S
Molecular weight: 444.440
InChI: InChI=1S/C19H17FN6O4S/c1-12-21-9-17(26(28)29)24(12)10-15(27)11-31-19-23-22-18(16-3-2-8-30-16)25(19)14-6-4-13(20)5-7-14/h2-9,15,27H,10-11H2,1H3
InChI key: MZDSGOKDWSVOCP-UHFFFAOYSA-N
SMILES: Cc1ncc(n1CC(O)CSc1nnc(c2ccco2)n1c1ccc(F)cc1)[N+](=O)[O-]
Systematic name  (3):
  • 1-(2-メチル-5-ニトロ-1H-イミダゾール-1-イル)-3-[[3-(2-フラニル)-4-(4-フルオロフェニル)-4H-1,2,4-トリアゾール-5-イル]チオ]-2-プロパノール
  • 1-{[4-(4-フルオロフェニル)-5-(フラン-2-イル)-4H-1,2,4-トリアゾール-3-イル]スルファニル}-3-(2-メチル-5-ニトロ-1H-イミダゾール-1-イル)プロパン-2-オール
  • 1-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
Other name (1):
  • 1-(2-Methyl-5-nitro-1H-imidazole-1-yl)-3-[[3-(2-furanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-5-yl]thio]-2-propanol
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