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

View entire compound with spectra: 2 NMR

N-(2-bromo-4,6-difluorophenyl)-2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID GB0MDdpHlMs
InChI InChI=1S/C23H16BrClF2N4OS/c1-13-2-4-14(5-3-13)22-29-30-23(31(22)17-8-6-15(25)7-9-17)33-12-20(32)28-21-18(24)10-16(26)11-19(21)27/h2-11H,12H2,1H3,(H,28,32)
InChIKey UQVLAQBXWYTUHP-UHFFFAOYSA-N
Mol Weight 549.82 g/mol
Molecular Formula C23H16BrClF2N4OS
Exact Mass 547.988479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATnD6RewiFi
Name N-(2-Bromo-4,6-difluorophenyl)-2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-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 547.988479350 u
Formula C23H16BrClF2N4OS
InChI InChI=1S/C23H16BrClF2N4OS/c1-13-2-4-14(5-3-13)22-29-30-23(31(22)17-8-6-15(25)7-9-17)33-12-20(32)28-21-18(24)10-16(26)11-19(21)27/h2-11H,12H2,1H3,(H,28,32)
InChIKey UQVLAQBXWYTUHP-UHFFFAOYSA-N
Molecular Weight 549.822 g/mol
SMILES N(C1=C(C=C(C=C1F)F)Br)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C=1C=CC(=CC1)Cl)=O