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N'-[(E)-(4-chlorophenyl)methylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide

View entire compound with spectra: 2 NMR

N'-[(E)-(4-chlorophenyl)methylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID 45CHIpEVQ3S
InChI InChI=1S/C26H23ClN4O2S2/c1-16-6-12-19(13-7-16)31-25(33)23-20-4-2-3-5-21(20)35-24(23)29-26(31)34-15-22(32)30-28-14-17-8-10-18(27)11-9-17/h6-14H,2-5,15H2,1H3,(H,30,32)/b28-14+
InChIKey OWDPDPDGCWVHGF-CCVNUDIWSA-N
Mol Weight 523.07 g/mol
Molecular Formula C26H23ClN4O2S2
Exact Mass 522.095096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AaD3RhTE6Wv
Name N'-[(E)-(4-chlorophenyl)methylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl]sulfanyl}acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.095096043 u
Formula C26H23ClN4O2S2
InChI InChI=1S/C26H23ClN4O2S2/c1-16-6-12-19(13-7-16)31-25(33)23-20-4-2-3-5-21(20)35-24(23)29-26(31)34-15-22(32)30-28-14-17-8-10-18(27)11-9-17/h6-14H,2-5,15H2,1H3,(H,30,32)/b28-14+
InChIKey OWDPDPDGCWVHGF-CCVNUDIWSA-N
Molecular Weight 523.069 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)Cl)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C=1C=CC(=CC1)C)=O