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2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID 4VvreG6wJXT
InChI InChI=1S/C21H23N5O3S/c1-4-26-20(16-7-11-18(29-3)12-8-16)24-25-21(26)30-14-19(27)23-22-13-15-5-9-17(28-2)10-6-15/h5-13H,4,14H2,1-3H3,(H,23,27)/b22-13+
InChIKey OVAGDLGJVHUEHH-LPYMAVHISA-N
Mol Weight 425.51 g/mol
Molecular Formula C21H23N5O3S
Exact Mass 425.152161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fD7EBYIAUX
Name 2-{[4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.152160792 u
Formula C21H23N5O3S
InChI InChI=1S/C21H23N5O3S/c1-4-26-20(16-7-11-18(29-3)12-8-16)24-25-21(26)30-14-19(27)23-22-13-15-5-9-17(28-2)10-6-15/h5-13H,4,14H2,1-3H3,(H,23,27)/b22-13+
InChIKey OVAGDLGJVHUEHH-LPYMAVHISA-N
Molecular Weight 425.507 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)OC)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CC)=O