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acetic acid, [[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-methoxyphenyl)ethylidene]hydrazide

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acetic acid, [[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-methoxyphenyl)ethylidene]hydrazide
SpectraBase Compound ID Ck6sXfbPzHO
InChI InChI=1S/C26H24ClN5O2S/c1-17-4-12-22(13-5-17)32-25(20-6-10-21(27)11-7-20)30-31-26(32)35-16-24(33)29-28-18(2)19-8-14-23(34-3)15-9-19/h4-15H,16H2,1-3H3,(H,29,33)/b28-18+
InChIKey QSASOXXZABVJPK-MTDXEUNCSA-N
Mol Weight 506.02 g/mol
Molecular Formula C26H24ClN5O2S
Exact Mass 505.133924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17IqGzbIrVR
Name Acetic acid, [[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-methoxyphenyl)ethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.133923905 u
Formula C26H24ClN5O2S
InChI InChI=1S/C26H24ClN5O2S/c1-17-4-12-22(13-5-17)32-25(20-6-10-21(27)11-7-20)30-31-26(32)35-16-24(33)29-28-18(2)19-8-14-23(34-3)15-9-19/h4-15H,16H2,1-3H3,(H,29,33)/b28-18+
InChIKey QSASOXXZABVJPK-MTDXEUNCSA-N
Molecular Weight 506.024 g/mol
SMILES N(\N=C\(C1=CC=C(C=C1)OC)C)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)C=1C=CC(=CC1)C)=O