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N-(4-acetylphenyl)-2-{[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
SpectraBase Compound ID CnMQ7uFPA7o
InChI InChI=1S/C17H14N4O3S/c1-11(22)12-4-6-14(7-5-12)19-15(23)10-25-17-21-20-16(24-17)13-3-2-8-18-9-13/h2-9H,10H2,1H3,(H,19,23)
InChIKey DBHWGJTTZTZWQU-UHFFFAOYSA-N
Mol Weight 354.38 g/mol
Molecular Formula C17H14N4O3S
Exact Mass 354.078661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A71eVkY5f7h
Name N-(4-Acetylphenyl)-2-{[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
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Exact Mass 354.078661498 u
Formula C17H14N4O3S
InChI InChI=1S/C17H14N4O3S/c1-11(22)12-4-6-14(7-5-12)19-15(23)10-25-17-21-20-16(24-17)13-3-2-8-18-9-13/h2-9H,10H2,1H3,(H,19,23)
InChIKey DBHWGJTTZTZWQU-UHFFFAOYSA-N
Molecular Weight 354.384 g/mol
SMILES N(C(CSC=1OC(=NN1)C1=CN=CC=C1)=O)C1=CC=C(C(=O)C)C=C1