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2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N'-[(E)-(4-isopropylphenyl)methylidene]acetohydrazide

View entire compound with spectra: 2 NMR

2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N'-[(E)-(4-isopropylphenyl)methylidene]acetohydrazide
SpectraBase Compound ID I2EmbQkhnJz
InChI InChI=1S/C26H23ClN4O2S/c1-17(2)19-9-7-18(8-10-19)15-28-30-24(32)16-34-26-29-23-6-4-3-5-22(23)25(33)31(26)21-13-11-20(27)12-14-21/h3-15,17H,16H2,1-2H3,(H,30,32)/b28-15+
InChIKey PFXIBTNXRKXACL-RWPZCVJISA-N
Mol Weight 491.01 g/mol
Molecular Formula C26H23ClN4O2S
Exact Mass 490.123025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hbs5mVaX9GF
Name 2-{[3-(4-Chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N'-[(E)-(4-isopropylphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.123024869 u
Formula C26H23ClN4O2S
InChI InChI=1S/C26H23ClN4O2S/c1-17(2)19-9-7-18(8-10-19)15-28-30-24(32)16-34-26-29-23-6-4-3-5-22(23)25(33)31(26)21-13-11-20(27)12-14-21/h3-15,17H,16H2,1-2H3,(H,30,32)/b28-15+
InChIKey PFXIBTNXRKXACL-RWPZCVJISA-N
Molecular Weight 491.009 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)C(C)C)C(CSC=1N(C(C=2C(=CC=CC2)N1)=O)C=1C=CC(=CC1)Cl)=O