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

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2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID Et5j2ZvUvdE
InChI InChI=1S/C27H26ClN5O4S/c1-4-37-23-14-5-18(15-24(23)36-3)16-29-30-25(34)17-38-27-32-31-26(19-6-12-22(35-2)13-7-19)33(27)21-10-8-20(28)9-11-21/h5-16H,4,17H2,1-3H3,(H,30,34)/b29-16+
InChIKey GIDKOUNLIDKYQE-MUFRIFMGSA-N
Mol Weight 552.05 g/mol
Molecular Formula C27H26ClN5O4S
Exact Mass 551.139403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5v2qRRYlWCE
Name 2-{[4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 551.139403207 u
Formula C27H26ClN5O4S
InChI InChI=1S/C27H26ClN5O4S/c1-4-37-23-14-5-18(15-24(23)36-3)16-29-30-25(34)17-38-27-32-31-26(19-6-12-22(35-2)13-7-19)33(27)21-10-8-20(28)9-11-21/h5-16H,4,17H2,1-3H3,(H,30,34)/b29-16+
InChIKey GIDKOUNLIDKYQE-MUFRIFMGSA-N
Molecular Weight 552.049 g/mol
SMILES N(\N=C\C=1C=C(OC)C(=CC1)OCC)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)C=1C=CC(=CC1)Cl)=O