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5-amino-N-[(4-cyanobenzylidene)amino]-N-methyl-3-morpholino-1,2,4-triazole-1-carbothioamide
SpectraBase Compound ID B4LZt8EIRaC
InChI InChI=1S/C16H18N8OS/c1-22(19-11-13-4-2-12(10-17)3-5-13)16(26)24-14(18)20-15(21-24)23-6-8-25-9-7-23/h2-5,11H,6-9H2,1H3,(H2,18,20,21)/b19-11+
InChIKey QLBNYWUMXOMBHO-YBFXNURJSA-N
Mol Weight 370.44 g/mol
Molecular Formula C16H18N8OS
Exact Mass 370.132428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4IQPJJd16n
Name 5-amino-N-[(4-cyanobenzylidene)amino]-N-methyl-3-morpholino-1,2,4-triazole-1-carbothioamide
Compound Number 19/7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N8OS
InChI InChI=1S/C16H18N8OS/c1-22(19-11-13-4-2-12(10-17)3-5-13)16(26)24-14(18)20-15(21-24)23-6-8-25-9-7-23/h2-5,11H,6-9H2,1H3,(H2,18,20,21)/b19-11+
InChIKey QLBNYWUMXOMBHO-YBFXNURJSA-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 370.432 g/mol
Solvent CDCl3
Source File Reference UWGE809