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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,3,4-trimethoxyphenyl)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)-(2,3,4-trimethoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID Dbf026iTzyW
InChI InChI=1S/C31H35N5O5S/c1-31(2,3)22-11-8-20(9-12-22)29-34-35-30(36(29)23-13-15-24(38-4)16-14-23)42-19-26(37)33-32-18-21-10-17-25(39-5)28(41-7)27(21)40-6/h8-18H,19H2,1-7H3,(H,33,37)/b32-18+
InChIKey WYDKIEKRJLIKEI-KCSSXMTESA-N
Mol Weight 589.7 g/mol
Molecular Formula C31H35N5O5S
Exact Mass 589.23589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LoglR4dCvzf
Name 2-{[5-(4-Tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 589.235890416 u
Formula C31H35N5O5S
InChI InChI=1S/C31H35N5O5S/c1-31(2,3)22-11-8-20(9-12-22)29-34-35-30(36(29)23-13-15-24(38-4)16-14-23)42-19-26(37)33-32-18-21-10-17-25(39-5)28(41-7)27(21)40-6/h8-18H,19H2,1-7H3,(H,33,37)/b32-18+
InChIKey WYDKIEKRJLIKEI-KCSSXMTESA-N
Molecular Weight 589.711 g/mol
SMILES N(\N=C\C=1C(=C(OC)C(=CC1)OC)OC)C(CSC=1N(C(=NN1)C1=CC=C(C(C)(C)C)C=C1)C=1C=CC(=CC1)OC)=O