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N-(2-cyanophenyl)-2-[(5-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

View entire compound with spectra: 2 NMR

N-(2-cyanophenyl)-2-[(5-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID Dvgw76o2hNH
InChI InChI=1S/C18H16N4O2S/c1-2-24-13-7-8-15-16(9-13)22-18(21-15)25-11-17(23)20-14-6-4-3-5-12(14)10-19/h3-9H,2,11H2,1H3,(H,20,23)(H,21,22)
InChIKey HIBJBBONOQRCGR-UHFFFAOYSA-N
Mol Weight 352.41 g/mol
Molecular Formula C18H16N4O2S
Exact Mass 352.099397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HC7WTpcuMjY
Name N-(2-Cyanophenyl)-2-[(5-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 352.099396943 u
Formula C18H16N4O2S
InChI InChI=1S/C18H16N4O2S/c1-2-24-13-7-8-15-16(9-13)22-18(21-15)25-11-17(23)20-14-6-4-3-5-12(14)10-19/h3-9H,2,11H2,1H3,(H,20,23)(H,21,22)
InChIKey HIBJBBONOQRCGR-UHFFFAOYSA-N
Molecular Weight 352.412 g/mol
SMILES N1C=2C=CC(=CC2N=C1SCC(NC1=C(C#N)C=CC=C1)=O)OCC