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

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N-(2-bromophenyl)-2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID GOy4Mgag5t2
InChI InChI=1S/C20H21BrN4O2S/c1-3-25-18(12-27-15-10-8-14(2)9-11-15)23-24-20(25)28-13-19(26)22-17-7-5-4-6-16(17)21/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey IKZGCKRIPDBADN-UHFFFAOYSA-N
Mol Weight 461.38 g/mol
Molecular Formula C20H21BrN4O2S
Exact Mass 460.05686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6VhFSRyDPFY
Name N-(2-Bromophenyl)-2-({4-ethyl-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 460.056860104 u
Formula C20H21BrN4O2S
InChI InChI=1S/C20H21BrN4O2S/c1-3-25-18(12-27-15-10-8-14(2)9-11-15)23-24-20(25)28-13-19(26)22-17-7-5-4-6-16(17)21/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey IKZGCKRIPDBADN-UHFFFAOYSA-N
Molecular Weight 461.378 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC1=CC=C(C=C1)C)CC)=O)C=1C(Br)=CC=CC1