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N-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]isonicotinamide
SpectraBase Compound ID 61NTe45a07l
InChI InChI=1S/C16H10FN3O2S2/c17-12-3-1-10(2-4-12)9-13-15(22)20(16(23)24-13)19-14(21)11-5-7-18-8-6-11/h1-9H,(H,19,21)/b13-9-
InChIKey FLAADWAHAGTKBT-LCYFTJDESA-N
Mol Weight 359.39 g/mol
Molecular Formula C16H10FN3O2S2
Exact Mass 359.019847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ydA9DJgBiX
Name N-[(5Z)-5-(4-Fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]isonicotinamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.019847083 u
Formula C16H10FN3O2S2
InChI InChI=1S/C16H10FN3O2S2/c17-12-3-1-10(2-4-12)9-13-15(22)20(16(23)24-13)19-14(21)11-5-7-18-8-6-11/h1-9H,(H,19,21)/b13-9-
InChIKey FLAADWAHAGTKBT-LCYFTJDESA-N
Molecular Weight 359.393 g/mol
SMILES N(N1C(\C(=C\C=2C=CC(=CC2)F)SC1=S)=O)C(=O)C1=CC=NC=C1