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acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(Z)-1-(4-methoxyphenyl)ethylidene]hydrazide
SpectraBase Compound ID BrVkfHHSuWP
InChI InChI=1S/C21H23N5O2S/c1-4-26-20(17-8-6-5-7-9-17)24-25-21(26)29-14-19(27)23-22-15(2)16-10-12-18(28-3)13-11-16/h5-13H,4,14H2,1-3H3,(H,23,27)/b22-15-
InChIKey AGPUXPNBHLNRRR-JCMHNJIXSA-N
Mol Weight 409.51 g/mol
Molecular Formula C21H23N5O2S
Exact Mass 409.157246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hjo9r7607Lw
Name Acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(Z)-1-(4-methoxyphenyl)ethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.157246173 u
Formula C21H23N5O2S
InChI InChI=1S/C21H23N5O2S/c1-4-26-20(17-8-6-5-7-9-17)24-25-21(26)29-14-19(27)23-22-15(2)16-10-12-18(28-3)13-11-16/h5-13H,4,14H2,1-3H3,(H,23,27)/b22-15-
InChIKey AGPUXPNBHLNRRR-JCMHNJIXSA-N
Molecular Weight 409.508 g/mol
SMILES N(\N=C/(C1=CC=C(C=C1)OC)C)C(CSC=1N(C(=NN1)C=1C=CC=CC1)CC)=O