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5-amino-N-methyl-3-(methylthio)-N-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazole-1-carbothioamide
SpectraBase Compound ID 8acmCntMCd5
InChI InChI=1S/C15H20N6O3S2/c1-20(15(25)21-13(16)18-14(19-21)26-5)17-8-9-6-10(22-2)12(24-4)11(7-9)23-3/h6-8H,1-5H3,(H2,16,18,19)/b17-8+
InChIKey SGFNLUKWTRPHQV-CAOOACKPSA-N
Mol Weight 396.48 g/mol
Molecular Formula C15H20N6O3S2
Exact Mass 396.103831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DG7fMoVszy5
Name 5-amino-N-methyl-3-(methylthio)-N-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazole-1-carbothioamide
Compound Number 19/22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20N6O3S2
InChI InChI=1S/C15H20N6O3S2/c1-20(15(25)21-13(16)18-14(19-21)26-5)17-8-9-6-10(22-2)12(24-4)11(7-9)23-3/h6-8H,1-5H3,(H2,16,18,19)/b17-8+
InChIKey SGFNLUKWTRPHQV-CAOOACKPSA-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 396.482 g/mol
Solvent CDCl3
Source File Reference UWGE824