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3-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

View entire compound with spectra: 2 NMR

3-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SpectraBase Compound ID ADdnMmfJQB0
InChI InChI=1S/C18H9ClF2N2OS2/c19-15-11-3-1-2-4-14(11)26-16(15)17(24)23-18-22-13(8-25-18)10-6-5-9(20)7-12(10)21/h1-8H,(H,22,23,24)
InChIKey FJBWAHWOOOQOTE-UHFFFAOYSA-N
Mol Weight 406.85 g/mol
Molecular Formula C18H9ClF2N2OS2
Exact Mass 405.981289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDQcqdTdN2A
Name 3-Chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.981289291 u
Formula C18H9ClF2N2OS2
InChI InChI=1S/C18H9ClF2N2OS2/c19-15-11-3-1-2-4-14(11)26-16(15)17(24)23-18-22-13(8-25-18)10-6-5-9(20)7-12(10)21/h1-8H,(H,22,23,24)
InChIKey FJBWAHWOOOQOTE-UHFFFAOYSA-N
Molecular Weight 406.853 g/mol
SMILES N(C1=NC(C=2C(=CC(=CC2)F)F)=CS1)C(C=1SC=2C=CC=CC2C1Cl)=O