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5-amino-N-[(4-chlorobenzylidene)amino]-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide
SpectraBase Compound ID KAqZV9fktqS
InChI InChI=1S/C12H13ClN6S2/c1-18(15-7-8-3-5-9(13)6-4-8)12(20)19-10(14)16-11(17-19)21-2/h3-7H,1-2H3,(H2,14,16,17)/b15-7+
InChIKey MXLCFUHPXJQBLZ-VIZOYTHASA-N
Mol Weight 340.85 g/mol
Molecular Formula C12H13ClN6S2
Exact Mass 340.033164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRt1sj1ABDF
Name 5-amino-N-[(4-chlorobenzylidene)amino]-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide
Compound Number 19/16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13ClN6S2
InChI InChI=1S/C12H13ClN6S2/c1-18(15-7-8-3-5-9(13)6-4-8)12(20)19-10(14)16-11(17-19)21-2/h3-7H,1-2H3,(H2,14,16,17)/b15-7+
InChIKey MXLCFUHPXJQBLZ-VIZOYTHASA-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 340.848 g/mol
Solvent CDCl3
Source File Reference UWGE817