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

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5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-methoxyphenyl)-2-oxopropanehydrazonothioate
SpectraBase Compound ID JO2Alfzr6Sz
InChI InChI=1S/C20H21N5O3S/c1-13(26)19(23-21-15-7-11-17(28-4)12-8-15)29-20-24-22-18(25(20)2)14-5-9-16(27-3)10-6-14/h5-12,21H,1-4H3/b23-19+
InChIKey GUQVMWHKJQODBL-FCDQGJHFSA-N
Mol Weight 411.48 g/mol
Molecular Formula C20H21N5O3S
Exact Mass 411.136511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FiFMIBDys0s
Name 5-(4-Methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-methoxyphenyl)-2-oxopropanehydrazonothioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.136510727 u
Formula C20H21N5O3S
InChI InChI=1S/C20H21N5O3S/c1-13(26)19(23-21-15-7-11-17(28-4)12-8-15)29-20-24-22-18(25(20)2)14-5-9-16(27-3)10-6-14/h5-12,21H,1-4H3/b23-19+
InChIKey GUQVMWHKJQODBL-FCDQGJHFSA-N
Molecular Weight 411.480 g/mol
SMILES N(\N=C/(SC=1N(C(=NN1)C1=CC=C(C=C1)OC)C)C(=O)C)C=1C=CC(=CC1)OC