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N-(2,4-Dimethoxy-phenyl)-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetamide
SpectraBase Compound ID I82OE9uZjuC
InChI InChI=1S/C16H16N4O3S/c1-22-10-5-6-11(13(8-10)23-2)18-14(21)9-24-16-19-12-4-3-7-17-15(12)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKey WZVKKFKFRDKWBJ-UHFFFAOYSA-N
Mol Weight 344.39 g/mol
Molecular Formula C16H16N4O3S
Exact Mass 344.094312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIwsZ91cOeS
Name N-(2,4-Dimethoxy-phenyl)-2-(3H-imidazo[4,5-B]pyridin-2-ylsulfanyl)-acetamide
Comments Computed using HOSE algorithm
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Exact Mass 344.094311562 u
Formula C16H16N4O3S
InChI InChI=1S/C16H16N4O3S/c1-22-10-5-6-11(13(8-10)23-2)18-14(21)9-24-16-19-12-4-3-7-17-15(12)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKey WZVKKFKFRDKWBJ-UHFFFAOYSA-N
Molecular Weight 344.389 g/mol
SMILES C1=CN=C2NC(=NC2=C1)SCC(NC1=CC=C(OC)C=C1OC)=O