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2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
SpectraBase Compound ID AQR79DtC7eb
InChI InChI=1S/C24H19ClN4O2S/c1-16-6-8-17(9-7-16)14-26-28-22(30)15-32-24-27-21-5-3-2-4-20(21)23(31)29(24)19-12-10-18(25)11-13-19/h2-14H,15H2,1H3,(H,28,30)/b26-14+
InChIKey ZMCIZKKMLWYUNE-VULFUBBASA-N
Mol Weight 462.96 g/mol
Molecular Formula C24H19ClN4O2S
Exact Mass 462.091725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FP0C9abbVjd
Name 2-{[3-(4-Chlorophenyl)-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 462.091724740 u
Formula C24H19ClN4O2S
InChI InChI=1S/C24H19ClN4O2S/c1-16-6-8-17(9-7-16)14-26-28-22(30)15-32-24-27-21-5-3-2-4-20(21)23(31)29(24)19-12-10-18(25)11-13-19/h2-14H,15H2,1H3,(H,28,30)/b26-14+
InChIKey ZMCIZKKMLWYUNE-VULFUBBASA-N
Molecular Weight 462.955 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)Cl)=O