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

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N-(4-bromo-2-methylphenyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID JH1jn9TSM4t
InChI InChI=1S/C22H18BrN5OS/c1-15-12-17(23)9-10-19(15)25-20(29)14-30-22-27-26-21(16-6-5-11-24-13-16)28(22)18-7-3-2-4-8-18/h2-13H,14H2,1H3,(H,25,29)
InChIKey AHCWRQLQXYOHEJ-UHFFFAOYSA-N
Mol Weight 480.38 g/mol
Molecular Formula C22H18BrN5OS
Exact Mass 479.041544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENtkaYge4DL
Name N-(4-Bromo-2-methylphenyl)-2-{[4-phenyl-5-(3-pyridinyl)-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 479.041544393 u
Formula C22H18BrN5OS
InChI InChI=1S/C22H18BrN5OS/c1-15-12-17(23)9-10-19(15)25-20(29)14-30-22-27-26-21(16-6-5-11-24-13-16)28(22)18-7-3-2-4-8-18/h2-13H,14H2,1H3,(H,25,29)
InChIKey AHCWRQLQXYOHEJ-UHFFFAOYSA-N
Molecular Weight 480.384 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CN=CC=C1)C=1C=CC=CC1)=O)C1=C(C=C(C=C1)Br)C