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N'-[(E)-2-furylmethylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetohydrazide
SpectraBase Compound ID 3HNxFeaIEtw
InChI InChI=1S/C22H18N4O4S/c1-29-16-10-8-15(9-11-16)26-21(28)18-6-2-3-7-19(18)24-22(26)31-14-20(27)25-23-13-17-5-4-12-30-17/h2-13H,14H2,1H3,(H,25,27)/b23-13+
InChIKey PDWDSZQTWMQTGE-YDZHTSKRSA-N
Mol Weight 434.47 g/mol
Molecular Formula C22H18N4O4S
Exact Mass 434.104876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGlfBn7r6e5
Name N'-[(E)-2-furylmethylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.104876246 u
Formula C22H18N4O4S
InChI InChI=1S/C22H18N4O4S/c1-29-16-10-8-15(9-11-16)26-21(28)18-6-2-3-7-19(18)24-22(26)31-14-20(27)25-23-13-17-5-4-12-30-17/h2-13H,14H2,1H3,(H,25,27)/b23-13+
InChIKey PDWDSZQTWMQTGE-YDZHTSKRSA-N
Molecular Weight 434.470 g/mol
SMILES N(\N=C\C=1OC=CC1)C(CSC=1N(C(C=2C(=CC=CC2)N1)=O)C1=CC=C(C=C1)OC)=O