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acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(2-furanyl)ethylidene]hydrazide
SpectraBase Compound ID 9dzaFymMB75
InChI InChI=1S/C23H21N5O2S/c1-16-10-12-18(13-11-16)22-26-27-23(28(22)19-7-4-3-5-8-19)31-15-21(29)25-24-17(2)20-9-6-14-30-20/h3-14H,15H2,1-2H3,(H,25,29)/b24-17+
InChIKey YISCZZVZEPQTFS-JJIBRWJFSA-N
Mol Weight 431.51 g/mol
Molecular Formula C23H21N5O2S
Exact Mass 431.141596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6VOTx4q36LC
Name Acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(2-furanyl)ethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.141596108 u
Formula C23H21N5O2S
InChI InChI=1S/C23H21N5O2S/c1-16-10-12-18(13-11-16)22-26-27-23(28(22)19-7-4-3-5-8-19)31-15-21(29)25-24-17(2)20-9-6-14-30-20/h3-14H,15H2,1-2H3,(H,25,29)/b24-17+
InChIKey YISCZZVZEPQTFS-JJIBRWJFSA-N
Molecular Weight 431.514 g/mol
SMILES N(\N=C\(C=1OC=CC1)C)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C1=CC=CC=C1)=O