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N-[4-(dimethylamino)phenyl]-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SpectraBase Compound ID FLOekg4mkWy
InChI InChI=1S/C16H17N5OS/c1-21(2)12-7-5-11(6-8-12)18-14(22)10-23-16-19-13-4-3-9-17-15(13)20-16/h3-9H,10H2,1-2H3,(H,18,22)(H,17,19,20)
InChIKey YVHFLCARIWUTCP-UHFFFAOYSA-N
Mol Weight 327.41 g/mol
Molecular Formula C16H17N5OS
Exact Mass 327.115381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46kEqeEkmla
Name N-[4-(Dimethylamino)phenyl]-2-(3H-imidazo[4,5-B]pyridin-2-ylsulfanyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 327.115381360 u
Formula C16H17N5OS
InChI InChI=1S/C16H17N5OS/c1-21(2)12-7-5-11(6-8-12)18-14(22)10-23-16-19-13-4-3-9-17-15(13)20-16/h3-9H,10H2,1-2H3,(H,18,22)(H,17,19,20)
InChIKey YVHFLCARIWUTCP-UHFFFAOYSA-N
SMILES N1C2=C(N=C1SCC(NC=1C=CC(=CC1)N(C)C)=O)C=CC=N2