Chem
J-GLOBAL ID：200907016458889280   Nikkaji number：J1.503.403C

3-(Methylthio)-3-piperidinotetrahydro-1H-1,2,4-triazole-1,2-dicarboxylic acid diethyl ester

3-(メチルチオ)-3-ピペリジノテトラヒドロ-1H-1,2,4-トリアゾール-1,2-ジカルボン酸ジエチル
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： C14H26N4O4S
Molecular formula furigana： C14-H26-N4-O4-S
Molecular weight： 346.450
InChI： InChI=1S/C14H26N4O4S/c1-4-21-12(19)17-11-15-14(23-3,16-9-7-6-8-10-16)18(17)13(20)22-5-2/h15H,4-11H2,1-3H3
InChI key： ZSZMKIMMGRCOHW-UHFFFAOYSA-N
SMILES： CCOC(=O)N1CNC(SC)(N1C(=O)OCC)N1CCCCC1
Systematic name  (3)：
  • 3-(メチルチオ)-3-ピペリジノテトラヒドロ-1H-1,2,4-トリアゾール-1,2-ジカルボン酸ジエチル
  • 1,2-ジエチル 3-(メチルスルファニル)-3-(ピペリジン-1-イル)-1,2,4-トリアゾリジン-1,2-ジカルボキシラート
  • 1,2-diethyl 3-(methylsulfanyl)-3-(piperidin-1-yl)-1,2,4-triazolidine-1,2-dicarboxylate
Other name (1)：
  • 3-(Methylthio)-3-piperidinotetrahydro-1H-1,2,4-triazole-1,2-dicarboxylic acid diethyl ester
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