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2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID JMwTPV1Mmbb
InChI InChI=1S/C20H21N5O3S/c1-3-25-19(15-7-9-17(28-2)10-8-15)23-24-20(25)29-13-18(27)22-21-12-14-5-4-6-16(26)11-14/h4-12,26H,3,13H2,1-2H3,(H,22,27)/b21-12+
InChIKey RXJRWXYNBMCABG-CIAFOILYSA-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 4dIvFlTXVtZ
Name 2-{[4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide
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/c1-3-25-19(15-7-9-17(28-2)10-8-15)23-24-20(25)29-13-18(27)22-21-12-14-5-4-6-16(26)11-14/h4-12,26H,3,13H2,1-2H3,(H,22,27)/b21-12+
InChIKey RXJRWXYNBMCABG-CIAFOILYSA-N
Molecular Weight 411.480 g/mol
SMILES N(\N=C\C=1C=C(C=CC1)O)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CC)=O