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2-(4-Allyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(3-chloro-4-fluoro-phenyl)-acetamide

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2-(4-Allyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(3-chloro-4-fluoro-phenyl)-acetamide
SpectraBase Compound ID 2HT2X9PTW6Y
InChI InChI=1S/C17H14ClFN4O2S/c1-2-7-23-16(14-4-3-8-25-14)21-22-17(23)26-10-15(24)20-11-5-6-13(19)12(18)9-11/h2-6,8-9H,1,7,10H2,(H,20,24)
InChIKey SOSSBNNGHMHKIX-UHFFFAOYSA-N
Mol Weight 392.84 g/mol
Molecular Formula C17H14ClFN4O2S
Exact Mass 392.051003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AawOM0gt1K
Name 2-(4-Allyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(3-chloro-4-fluoro-phenyl)-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.051002742 u
Formula C17H14ClFN4O2S
InChI InChI=1S/C17H14ClFN4O2S/c1-2-7-23-16(14-4-3-8-25-14)21-22-17(23)26-10-15(24)20-11-5-6-13(19)12(18)9-11/h2-6,8-9H,1,7,10H2,(H,20,24)
InChIKey SOSSBNNGHMHKIX-UHFFFAOYSA-N
Molecular Weight 392.836 g/mol
SMILES C1=CC(=C(C=C1NC(CSC=1N(C(=NN1)C=1OC=CC1)CC=C)=O)Cl)F