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5-amino-N-(benzylideneamino)-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide

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5-amino-N-(benzylideneamino)-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide
SpectraBase Compound ID CqceJ5Nvu8E
InChI InChI=1S/C12H14N6S2/c1-17(14-8-9-6-4-3-5-7-9)12(19)18-10(13)15-11(16-18)20-2/h3-8H,1-2H3,(H2,13,15,16)/b14-8+
InChIKey KJKIJSZOYNVXIZ-RIYZIHGNSA-N
Mol Weight 306.41 g/mol
Molecular Formula C12H14N6S2
Exact Mass 306.072137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7eiNU4XGrtN
Name 5-amino-N-(benzylideneamino)-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide
Compound Number 19/13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14N6S2
InChI InChI=1S/C12H14N6S2/c1-17(14-8-9-6-4-3-5-7-9)12(19)18-10(13)15-11(16-18)20-2/h3-8H,1-2H3,(H2,13,15,16)/b14-8+
InChIKey KJKIJSZOYNVXIZ-RIYZIHGNSA-N
Literature Reference Author J.BARKOCZY,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,30,1009(1993)
Literature Reference DOI 10.1002/jhet.5570300429
Molecular Weight 306.403 g/mol
Solvent CDCl3
Source File Reference UWGE813