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4-{(E)-[({[3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetyl)hydrazono]methyl}benzoic acid

View entire compound with spectra: 2 NMR

4-{(E)-[({[3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetyl)hydrazono]methyl}benzoic acid
SpectraBase Compound ID 1tiDUwSzzee
InChI InChI=1S/C25H20N4O5S/c1-34-19-12-10-18(11-13-19)29-23(31)20-4-2-3-5-21(20)27-25(29)35-15-22(30)28-26-14-16-6-8-17(9-7-16)24(32)33/h2-14H,15H2,1H3,(H,28,30)(H,32,33)/b26-14+
InChIKey RNYFXGGDAPAKBP-VULFUBBASA-N
Mol Weight 488.52 g/mol
Molecular Formula C25H20N4O5S
Exact Mass 488.115441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8hWXdkLNpSA
Name 4-{(E)-[({[3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetyl)hydrazono]methyl}benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.115440929 u
Formula C25H20N4O5S
InChI InChI=1S/C25H20N4O5S/c1-34-19-12-10-18(11-13-19)29-23(31)20-4-2-3-5-21(20)27-25(29)35-15-22(30)28-26-14-16-6-8-17(9-7-16)24(32)33/h2-14H,15H2,1H3,(H,28,30)(H,32,33)/b26-14+
InChIKey RNYFXGGDAPAKBP-VULFUBBASA-N
Molecular Weight 488.518 g/mol
SMILES N(\N=C\C=1C=CC(C(=O)O)=CC1)C(CSC=1N(C(C=2C(=CC=CC2)N1)=O)C=1C=CC(=CC1)OC)=O