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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-propoxyphenyl)methylidene]acetohydrazide

View entire compound with spectra: 2 NMR

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-propoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID 1kDakEqR7Dw
InChI InChI=1S/C31H35N5O3S/c1-6-19-39-27-15-7-22(8-16-27)20-32-33-28(37)21-40-30-35-34-29(23-9-11-24(12-10-23)31(2,3)4)36(30)25-13-17-26(38-5)18-14-25/h7-18,20H,6,19,21H2,1-5H3,(H,33,37)/b32-20+
InChIKey SOYPUBJYQMAEJU-UZWMFBFFSA-N
Mol Weight 557.7 g/mol
Molecular Formula C31H35N5O3S
Exact Mass 557.246061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2sFmscRLfoW
Name 2-{[5-(4-Tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-propoxyphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 557.246061178 u
Formula C31H35N5O3S
InChI InChI=1S/C31H35N5O3S/c1-6-19-39-27-15-7-22(8-16-27)20-32-33-28(37)21-40-30-35-34-29(23-9-11-24(12-10-23)31(2,3)4)36(30)25-13-17-26(38-5)18-14-25/h7-18,20H,6,19,21H2,1-5H3,(H,33,37)/b32-20+
InChIKey SOYPUBJYQMAEJU-UZWMFBFFSA-N
Molecular Weight 557.713 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)OCCC)C(CSC=1N(C(=NN1)C1=CC=C(C(C)(C)C)C=C1)C1=CC=C(C=C1)OC)=O