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acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazide
SpectraBase Compound ID ARTEYoK300W
InChI InChI=1S/C24H19Br2N5O2S/c1-15-7-9-16(10-8-15)23-29-30-24(31(23)19-5-3-2-4-6-19)34-14-21(32)28-27-13-17-11-18(25)12-20(26)22(17)33/h2-13,33H,14H2,1H3,(H,28,32)/b27-13-
InChIKey IAGUFCATGQPTJJ-WKIKZPBSSA-N
Mol Weight 601.32 g/mol
Molecular Formula C24H19Br2N5O2S
Exact Mass 598.962622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrV5MoEgpiL
Name Acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 598.962622044 u
Formula C24H19Br2N5O2S
InChI InChI=1S/C24H19Br2N5O2S/c1-15-7-9-16(10-8-15)23-29-30-24(31(23)19-5-3-2-4-6-19)34-14-21(32)28-27-13-17-11-18(25)12-20(26)22(17)33/h2-13,33H,14H2,1H3,(H,28,32)/b27-13-
InChIKey IAGUFCATGQPTJJ-WKIKZPBSSA-N
SMILES N(\N=C/C=1C=C(C=C(C1O)Br)Br)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C=1C=CC=CC1)=O