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N-(4-bromophenyl)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-(4-bromophenyl)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 1YQzHvPZqJQ
InChI InChI=1S/C25H23BrN4O4S/c1-32-20-13-16(14-21(33-2)23(20)34-3)24-28-29-25(30(24)19-7-5-4-6-8-19)35-15-22(31)27-18-11-9-17(26)10-12-18/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey ASRHCCWLLIQQRX-UHFFFAOYSA-N
Mol Weight 555.45 g/mol
Molecular Formula C25H23BrN4O4S
Exact Mass 554.062339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRDEMUPI883
Name N-(4-Bromophenyl)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-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 554.062339407 u
Formula C25H23BrN4O4S
InChI InChI=1S/C25H23BrN4O4S/c1-32-20-13-16(14-21(33-2)23(20)34-3)24-28-29-25(30(24)19-7-5-4-6-8-19)35-15-22(31)27-18-11-9-17(26)10-12-18/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey ASRHCCWLLIQQRX-UHFFFAOYSA-N
Molecular Weight 555.447 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC(OC)=C(C(=C1)OC)OC)C1=CC=CC=C1)=O)C=1C=CC(=CC1)Br