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4-{[(E)-(2-methoxyphenyl)methylidene]amino}-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 84m0imF5IHV
InChI InChI=1S/C17H16N4OS/c1-12-6-5-8-13(10-12)16-19-20-17(23)21(16)18-11-14-7-3-4-9-15(14)22-2/h3-11H,1-2H3,(H,20,23)/b18-11+
InChIKey HRYWNMPNHAMJLH-WOJGMQOQSA-N
Mol Weight 324.4 g/mol
Molecular Formula C17H16N4OS
Exact Mass 324.104482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFYhWkew8IR
Name 4-{[(E)-(2-methoxyphenyl)methylidene]amino}-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Comments Computed using HOSE algorithm
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Exact Mass 324.104482324 u
Formula C17H16N4OS
InChI InChI=1S/C17H16N4OS/c1-12-6-5-8-13(10-12)16-19-20-17(23)21(16)18-11-14-7-3-4-9-15(14)22-2/h3-11H,1-2H3,(H,20,23)/b18-11+
InChIKey HRYWNMPNHAMJLH-WOJGMQOQSA-N
SMILES SC=1N(C(=NN1)C1=CC(C)=CC=C1)\N=C\C=1C(OC)=CC=CC1