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N'-[(E)-(3,4-dichlorophenyl)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 3bnZLRpFh58
InChI InChI=1S/C26H22Cl2N4O2S2/c1-15-6-9-17(10-7-15)32-25(34)23-18-4-2-3-5-21(18)36-24(23)30-26(32)35-14-22(33)31-29-13-16-8-11-19(27)20(28)12-16/h6-13H,2-5,14H2,1H3,(H,31,33)/b29-13+
InChIKey RPPZCXRITXHRGG-VFLNYLIXSA-N
Mol Weight 557.51 g/mol
Molecular Formula C26H22Cl2N4O2S2
Exact Mass 556.056124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWdH3Fmo9o9
Name N'-[(E)-(3,4-dichlorophenyl)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 556.056123710 u
Formula C26H22Cl2N4O2S2
InChI InChI=1S/C26H22Cl2N4O2S2/c1-15-6-9-17(10-7-15)32-25(34)23-18-4-2-3-5-21(18)36-24(23)30-26(32)35-14-22(33)31-29-13-16-8-11-19(27)20(28)12-16/h6-13H,2-5,14H2,1H3,(H,31,33)/b29-13+
InChIKey RPPZCXRITXHRGG-VFLNYLIXSA-N
Molecular Weight 557.514 g/mol
SMILES N(\N=C\C=1C=C(Cl)C(=CC1)Cl)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=C(C=C1)C)=O