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2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-phenylmethylidene]acetohydrazide
SpectraBase Compound ID CmLELgFNUyo
InChI InChI=1S/C20H21N5O2S/c1-3-25-19(16-9-11-17(27-2)12-10-16)23-24-20(25)28-14-18(26)22-21-13-15-7-5-4-6-8-15/h4-13H,3,14H2,1-2H3,(H,22,26)/b21-13+
InChIKey IVOGPUAGZIQQKF-FYJGNVAPSA-N
Mol Weight 395.48 g/mol
Molecular Formula C20H21N5O2S
Exact Mass 395.141596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5uO8j1FCPC
Name 2-{[4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-phenylmethylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.141596108 u
Formula C20H21N5O2S
InChI InChI=1S/C20H21N5O2S/c1-3-25-19(16-9-11-17(27-2)12-10-16)23-24-20(25)28-14-18(26)22-21-13-15-7-5-4-6-8-15/h4-13H,3,14H2,1-2H3,(H,22,26)/b21-13+
InChIKey IVOGPUAGZIQQKF-FYJGNVAPSA-N
Molecular Weight 395.481 g/mol
SMILES N(\N=C\C=1C=CC=CC1)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CC)=O