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

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N-(4-bromophenyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 20pSBKNeJIt
InChI InChI=1S/C23H19BrN4OS/c1-16-7-9-17(10-8-16)22-26-27-23(28(22)20-5-3-2-4-6-20)30-15-21(29)25-19-13-11-18(24)12-14-19/h2-14H,15H2,1H3,(H,25,29)
InChIKey LKXLRWNLPMQRHD-UHFFFAOYSA-N
Mol Weight 479.4 g/mol
Molecular Formula C23H19BrN4OS
Exact Mass 478.046295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3smNlU38EDb
Name N-(4-Bromophenyl)-2-{[5-(4-methylphenyl)-4-phenyl-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 478.046295421 u
Formula C23H19BrN4OS
InChI InChI=1S/C23H19BrN4OS/c1-16-7-9-17(10-8-16)22-26-27-23(28(22)20-5-3-2-4-6-20)30-15-21(29)25-19-13-11-18(24)12-14-19/h2-14H,15H2,1H3,(H,25,29)
InChIKey LKXLRWNLPMQRHD-UHFFFAOYSA-N
Molecular Weight 479.396 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C=1C=CC=CC1)=O)C=1C=CC(=CC1)Br