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2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID HiDQ7dzroo3
InChI InChI=1S/C21H23N5O2S/c1-4-26-20(16-11-9-15(2)10-12-16)24-25-21(26)29-14-19(27)23-22-13-17-7-5-6-8-18(17)28-3/h5-13H,4,14H2,1-3H3,(H,23,27)/b22-13+
InChIKey DRSREUSRZIXDDS-LPYMAVHISA-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 Fy2kKWeN4oX
Name 2-{[4-Ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
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(16-11-9-15(2)10-12-16)24-25-21(26)29-14-19(27)23-22-13-17-7-5-6-8-18(17)28-3/h5-13H,4,14H2,1-3H3,(H,23,27)/b22-13+
InChIKey DRSREUSRZIXDDS-LPYMAVHISA-N
Molecular Weight 409.508 g/mol
SMILES N(\N=C\C=1C(OC)=CC=CC1)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)CC)=O