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2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide

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2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID JOA5AgI6RNu
InChI InChI=1S/C30H24ClN5O3S/c1-38-25-16-10-22(11-17-25)29-34-35-30(36(29)24-14-12-23(31)13-15-24)40-20-28(37)33-32-19-21-6-5-9-27(18-21)39-26-7-3-2-4-8-26/h2-19H,20H2,1H3,(H,33,37)/b32-19+
InChIKey LTPBAEGAGVYVIO-BIZUNTBRSA-N
Mol Weight 570.07 g/mol
Molecular Formula C30H24ClN5O3S
Exact Mass 569.128839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MXCdDfgmvr
Name 2-{[4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 569.128838524 u
Formula C30H24ClN5O3S
InChI InChI=1S/C30H24ClN5O3S/c1-38-25-16-10-22(11-17-25)29-34-35-30(36(29)24-14-12-23(31)13-15-24)40-20-28(37)33-32-19-21-6-5-9-27(18-21)39-26-7-3-2-4-8-26/h2-19H,20H2,1H3,(H,33,37)/b32-19+
InChIKey LTPBAEGAGVYVIO-BIZUNTBRSA-N
Molecular Weight 570.067 g/mol
SMILES N(\N=C\C=1C=C(OC=2C=CC=CC2)C=CC1)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)C1=CC=C(C=C1)Cl)=O