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2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
SpectraBase Compound ID DHmrm3j0EgN
InChI InChI=1S/C25H22N4O3S/c1-17-7-9-18(10-8-17)15-26-28-23(30)16-33-25-27-22-6-4-3-5-21(22)24(31)29(25)19-11-13-20(32-2)14-12-19/h3-15H,16H2,1-2H3,(H,28,30)/b26-15+
InChIKey FERVYIOKPGZHQB-CVKSISIWSA-N
Mol Weight 458.54 g/mol
Molecular Formula C25H22N4O3S
Exact Mass 458.141262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20kvebZKxYP
Name 2-{[3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.141261755 u
Formula C25H22N4O3S
InChI InChI=1S/C25H22N4O3S/c1-17-7-9-18(10-8-17)15-26-28-23(30)16-33-25-27-22-6-4-3-5-21(22)24(31)29(25)19-11-13-20(32-2)14-12-19/h3-15H,16H2,1-2H3,(H,28,30)/b26-15+
InChIKey FERVYIOKPGZHQB-CVKSISIWSA-N
Molecular Weight 458.536 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)C)C(CSC=1N(C(C=2C(=CC=CC2)N1)=O)C1=CC=C(C=C1)OC)=O