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

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2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
SpectraBase Compound ID DLT9lemfzpN
InChI InChI=1S/C26H22F3N5O2S/c1-17-3-7-19(8-4-17)24-32-33-25(34(24)21-11-13-22(36-2)14-12-21)37-16-23(35)31-30-15-18-5-9-20(10-6-18)26(27,28)29/h3-15H,16H2,1-2H3,(H,31,35)/b30-15+
InChIKey QNVDRVBPMJZKSB-FJEPWZHXSA-N
Mol Weight 525.55 g/mol
Molecular Formula C26H22F3N5O2S
Exact Mass 525.144631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9N3rNaMiyOl
Name 2-{[4-(4-Methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 525.144630629 u
Formula C26H22F3N5O2S
InChI InChI=1S/C26H22F3N5O2S/c1-17-3-7-19(8-4-17)24-32-33-25(34(24)21-11-13-22(36-2)14-12-21)37-16-23(35)31-30-15-18-5-9-20(10-6-18)26(27,28)29/h3-15H,16H2,1-2H3,(H,31,35)/b30-15+
InChIKey QNVDRVBPMJZKSB-FJEPWZHXSA-N
Molecular Weight 525.550 g/mol
SMILES N(\N=C\C1=CC=C(C(F)(F)F)C=C1)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C=1C=CC(=CC1)OC)=O