Chem
J-GLOBAL ID:200907027695447995   Nikkaji number:J387.146K

4,5-Diphenyl-3-[[4-(2,6-dimethylpiperidino)-2-butynyl]thio]-4H-1,2,4-triazole

4,5-ジフェニル-3-[[4-(2,6-ジメチルピペリジノ)-2-ブチニル]チオ]-4H-1,2,4-トリアゾール
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: C25H28N4S
Molecular formula furigana: C25-H28-N4-S
Molecular weight: 416.590
InChI: InChI=1S/C25H28N4S/c1-20-12-11-13-21(2)28(20)18-9-10-19-30-25-27-26-24(22-14-5-3-6-15-22)29(25)23-16-7-4-8-17-23/h3-8,14-17,20-21H,11-13,18-19H2,1-2H3
InChI key: BOFMSRRFOXOZNN-UHFFFAOYSA-N
SMILES: CC1CCCC(C)N1CC#CCSc1nnc(c2ccccc2)n1c1ccccc1
Systematic name  (3):
  • 4,5-ジフェニル-3-[[4-(2,6-ジメチルピペリジノ)-2-ブチニル]チオ]-4H-1,2,4-トリアゾール
  • 1-{4-[(4,5-ジフェニル-4H-1,2,4-トリアゾール-3-イル)スルファニル]ブタ-2-イン-1-イル}-2,6-ジメチルピペリジン
  • 1-{4-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]but-2-yn-1-yl}-2,6-dimethylpiperidine
Other name (1):
  • 4,5-Diphenyl-3-[[4-(2,6-dimethylpiperidino)-2-butynyl]thio]-4H-1,2,4-triazole
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