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acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3,4-dichlorophenyl)methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3,4-dichlorophenyl)methylidene]hydrazide
SpectraBase Compound ID DpLH6HjvNK2
InChI InChI=1S/C24H19Cl2N5O2S/c1-33-19-10-8-17(9-11-19)23-29-30-24(31(23)18-5-3-2-4-6-18)34-15-22(32)28-27-14-16-7-12-20(25)21(26)13-16/h2-14H,15H2,1H3,(H,28,32)/b27-14+
InChIKey UQFGFBVRXDKMFL-MZJWZYIUSA-N
Mol Weight 512.42 g/mol
Molecular Formula C24H19Cl2N5O2S
Exact Mass 511.063651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GrComEP6F0l
Name Acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3,4-dichlorophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.063651444 u
Formula C24H19Cl2N5O2S
InChI InChI=1S/C24H19Cl2N5O2S/c1-33-19-10-8-17(9-11-19)23-29-30-24(31(23)18-5-3-2-4-6-18)34-15-22(32)28-27-14-16-7-12-20(25)21(26)13-16/h2-14H,15H2,1H3,(H,28,32)/b27-14+
InChIKey UQFGFBVRXDKMFL-MZJWZYIUSA-N
Molecular Weight 512.415 g/mol
SMILES N(\N=C\C=1C=C(Cl)C(=CC1)Cl)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)C1=CC=CC=C1)=O