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2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(2-hydroxyphenyl)ethylidene]acetohydrazide

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2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(2-hydroxyphenyl)ethylidene]acetohydrazide
SpectraBase Compound ID GPvEvMvDgwU
InChI InChI=1S/C25H22ClN5O2S/c1-16-7-13-20(14-8-16)31-24(18-9-11-19(26)12-10-18)29-30-25(31)34-15-23(33)28-27-17(2)21-5-3-4-6-22(21)32/h3-14,32H,15H2,1-2H3,(H,28,33)/b27-17+
InChIKey BFTIULZJZQSTLB-WPWMEQJKSA-N
Mol Weight 492.0 g/mol
Molecular Formula C25H22ClN5O2S
Exact Mass 491.118274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83lkxOGw33J
Name 2-{[5-(4-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(2-hydroxyphenyl)ethylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.118273840 u
Formula C25H22ClN5O2S
InChI InChI=1S/C25H22ClN5O2S/c1-16-7-13-20(14-8-16)31-24(18-9-11-19(26)12-10-18)29-30-25(31)34-15-23(33)28-27-17(2)21-5-3-4-6-22(21)32/h3-14,32H,15H2,1-2H3,(H,28,33)/b27-17+
InChIKey BFTIULZJZQSTLB-WPWMEQJKSA-N
Molecular Weight 491.997 g/mol
SMILES N(\N=C\(C=1C(=CC=CC1)O)C)C(CSC=1N(C(=NN1)C=1C=CC(Cl)=CC1)C1=CC=C(C=C1)C)=O