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N-(2-bromo-4,6-difluorophenyl)-2-({4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

View entire compound with spectra: 2 NMR

N-(2-bromo-4,6-difluorophenyl)-2-({4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID 2UBMvjPLFHH
InChI InChI=1S/C23H19BrF2N4O3S/c1-14-4-6-16(7-5-14)33-12-20-28-29-23(30(20)11-17-3-2-8-32-17)34-13-21(31)27-22-18(24)9-15(25)10-19(22)26/h2-10H,11-13H2,1H3,(H,27,31)
InChIKey RLXSUMBNWWDURX-UHFFFAOYSA-N
Mol Weight 549.39 g/mol
Molecular Formula C23H19BrF2N4O3S
Exact Mass 548.032931 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8QcrIhCPvdy
Name N-(2-Bromo-4,6-difluorophenyl)-2-({4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.032930985 u
Formula C23H19BrF2N4O3S
InChI InChI=1S/C23H19BrF2N4O3S/c1-14-4-6-16(7-5-14)33-12-20-28-29-23(30(20)11-17-3-2-8-32-17)34-13-21(31)27-22-18(24)9-15(25)10-19(22)26/h2-10H,11-13H2,1H3,(H,27,31)
InChIKey RLXSUMBNWWDURX-UHFFFAOYSA-N
Molecular Weight 549.391 g/mol
SMILES N(C1=C(C=C(C=C1F)F)Br)C(CSC=1N(C(=NN1)COC=1C=CC(=CC1)C)CC=1OC=CC1)=O