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2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-propoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID DXdNf2BcoLe
InChI InChI=1S/C27H27N5O3S/c1-3-17-35-24-13-9-20(10-14-24)18-28-29-25(33)19-36-27-31-30-26(21-7-5-4-6-8-21)32(27)22-11-15-23(34-2)16-12-22/h4-16,18H,3,17,19H2,1-2H3,(H,29,33)/b28-18+
InChIKey DJNWKVHZYQPRCW-MTDXEUNCSA-N
Mol Weight 501.61 g/mol
Molecular Formula C27H27N5O3S
Exact Mass 501.183461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48lQaYHf6aj
Name 2-{[4-(4-Methoxyphenyl)-5-phenyl-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 501.183460920 u
Formula C27H27N5O3S
InChI InChI=1S/C27H27N5O3S/c1-3-17-35-24-13-9-20(10-14-24)18-28-29-25(33)19-36-27-31-30-26(21-7-5-4-6-8-21)32(27)22-11-15-23(34-2)16-12-22/h4-16,18H,3,17,19H2,1-2H3,(H,29,33)/b28-18+
InChIKey DJNWKVHZYQPRCW-MTDXEUNCSA-N
Molecular Weight 501.605 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)OCCC)C(CSC=1N(C(=NN1)C1=CC=CC=C1)C1=CC=C(C=C1)OC)=O