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5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-bromophenyl)-2-oxopropanehydrazonothioate

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5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-bromophenyl)-2-oxopropanehydrazonothioate
SpectraBase Compound ID Kcq0dkr3fQw
InChI InChI=1S/C19H18BrN5O2S/c1-12(26)18(23-21-15-8-6-14(20)7-9-15)28-19-24-22-17(25(19)2)13-4-10-16(27-3)11-5-13/h4-11,21H,1-3H3/b23-18+
InChIKey HCBMORSOYYARIW-PTGBLXJZSA-N
Mol Weight 460.35 g/mol
Molecular Formula C19H18BrN5O2S
Exact Mass 459.036459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7YwK2dQXo5b
Name 5-(4-Methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-bromophenyl)-2-oxopropanehydrazonothioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.036459012 u
Formula C19H18BrN5O2S
InChI InChI=1S/C19H18BrN5O2S/c1-12(26)18(23-21-15-8-6-14(20)7-9-15)28-19-24-22-17(25(19)2)13-4-10-16(27-3)11-5-13/h4-11,21H,1-3H3/b23-18+
InChIKey HCBMORSOYYARIW-PTGBLXJZSA-N
Molecular Weight 460.350 g/mol
SMILES N(\N=C/(SC=1N(C(=NN1)C1=CC=C(C=C1)OC)C)C(=O)C)C1=CC=C(C=C1)Br