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5-amino-N-[(4-cyanobenzylidene)amino]-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide
SpectraBase Compound ID Fc1Xm80vNEy
InChI InChI=1S/C13H13N7S2/c1-19(13(21)20-11(15)17-12(18-20)22-2)16-8-10-5-3-9(7-14)4-6-10/h3-6,8H,1-2H3,(H2,15,17,18)/b16-8+
InChIKey QHMMCOJJYQFPLQ-LZYBPNLTSA-N
Mol Weight 331.42 g/mol
Molecular Formula C13H13N7S2
Exact Mass 331.067386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID eAGIQQxkHw
Name 5-amino-N-[(4-cyanobenzylidene)amino]-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide
Compound Number 19/19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N7S2
InChI InChI=1S/C13H13N7S2/c1-19(13(21)20-11(15)17-12(18-20)22-2)16-8-10-5-3-9(7-14)4-6-10/h3-6,8H,1-2H3,(H2,15,17,18)/b16-8+
InChIKey QHMMCOJJYQFPLQ-LZYBPNLTSA-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 331.413 g/mol
Solvent CDCl3
Source File Reference UWGE820