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N-[4-(4-Fluorophenyl)-2-methylthio-5-(pyridin-4-yl)-1H-imidazol-1-yl]acetamide
SpectraBase Compound ID 4qCxZW3p0oS
InChI InChI=1S/C17H15FN4OS/c1-11(23)21-22-16(13-7-9-19-10-8-13)15(20-17(22)24-2)12-3-5-14(18)6-4-12/h3-10H,1-2H3,(H,21,23)
InChIKey CTVKEROUSAAXEI-UHFFFAOYSA-N
Mol Weight 342.39 g/mol
Molecular Formula C17H15FN4OS
Exact Mass 342.09506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6F33dG2HWrE
Name N-[4-(4-Fluorophenyl)-2-methylthio-5-(pyridin-4-yl)-1H-imidazol-1-yl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 342.095060455 u
Formula C17H15FN4OS
InChI InChI=1S/C17H15FN4OS/c1-11(23)21-22-16(13-7-9-19-10-8-13)15(20-17(22)24-2)12-3-5-14(18)6-4-12/h3-10H,1-2H3,(H,21,23)
InChIKey CTVKEROUSAAXEI-UHFFFAOYSA-N
Molecular Weight 342.392 g/mol
SMILES C(C)(=O)NN1C(=C(N=C1SC)C=1C=CC(=CC1)F)C1=CC=NC=C1