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N'-[(E)-(3-methoxyphenyl)methylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetohydrazide
SpectraBase Compound ID LZrvEioXFCj
InChI InChI=1S/C25H22N4O4S/c1-32-19-12-10-18(11-13-19)29-24(31)21-8-3-4-9-22(21)27-25(29)34-16-23(30)28-26-15-17-6-5-7-20(14-17)33-2/h3-15H,16H2,1-2H3,(H,28,30)/b26-15+
InChIKey CHEKOXQMSICNGZ-CVKSISIWSA-N
Mol Weight 474.54 g/mol
Molecular Formula C25H22N4O4S
Exact Mass 474.136176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DE7IaEOtbAk
Name N'-[(E)-(3-methoxyphenyl)methylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 474.136176374 u
Formula C25H22N4O4S
InChI InChI=1S/C25H22N4O4S/c1-32-19-12-10-18(11-13-19)29-24(31)21-8-3-4-9-22(21)27-25(29)34-16-23(30)28-26-15-17-6-5-7-20(14-17)33-2/h3-15H,16H2,1-2H3,(H,28,30)/b26-15+
InChIKey CHEKOXQMSICNGZ-CVKSISIWSA-N
Molecular Weight 474.535 g/mol
SMILES N(\N=C\C=1C=C(OC)C=CC1)C(CSC=1N(C(C=2C(=CC=CC2)N1)=O)C1=CC=C(C=C1)OC)=O