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2-METHYL-4-PHENYL-5-(3'-AMINO-2'-PYRAZINYL)-1,2,4-TRIAZOLE-3-THIONE

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2-METHYL-4-PHENYL-5-(3'-AMINO-2'-PYRAZINYL)-1,2,4-TRIAZOLE-3-THIONE
SpectraBase Compound ID 7WHsSwzbDm3
InChI InChI=1S/C13H12N6S/c1-18-13(20)19(9-5-3-2-4-6-9)12(17-18)10-11(14)16-8-7-15-10/h2-8H,1H3,(H2,14,16)
InChIKey QKZSHXZAMCUSKG-UHFFFAOYSA-N
Mol Weight 284.34 g/mol
Molecular Formula C13H12N6S
Exact Mass 284.084416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3AALKNogANP
Name 5-(3-Amino-2-pyrazinyl)-2-methyl-4-phenyl-1,2,4-triazol-3-thione
CAS Registry Number 79998-19-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12N6S
InChI InChI=1S/C13H12N6S/c1-18-13(20)19(9-5-3-2-4-6-9)12(17-18)10-11(14)16-8-7-15-10/h2-8H,1H3,(H2,14,16)
InChIKey QKZSHXZAMCUSKG-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference G.M. Shutske, M.N. Agnew, J. Heterocycl. Chem. 18, 1025 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6