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N'-[(E)-1-(4-bromophenyl)ethylidene]-2-[(4-oxo-3-phenyl-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)-1-(4-bromophenyl)ethylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
SpectraBase Compound ID LEQVWZcCOQm
InChI InChI=1S/C26H23BrN4O2S2/c1-16(17-11-13-18(27)14-12-17)29-30-22(32)15-34-26-28-24-23(20-9-5-6-10-21(20)35-24)25(33)31(26)19-7-3-2-4-8-19/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3,(H,30,32)/b29-16+
InChIKey VQEAQCITUDPQOA-MUFRIFMGSA-N
Mol Weight 567.52 g/mol
Molecular Formula C26H23BrN4O2S2
Exact Mass 566.044581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YwxRnHiemo
Name N'-[(E)-1-(4-bromophenyl)ethylidene]-2-[(4-oxo-3-phenyl-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 566.044581343 u
Formula C26H23BrN4O2S2
InChI InChI=1S/C26H23BrN4O2S2/c1-16(17-11-13-18(27)14-12-17)29-30-22(32)15-34-26-28-24-23(20-9-5-6-10-21(20)35-24)25(33)31(26)19-7-3-2-4-8-19/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3,(H,30,32)/b29-16+
InChIKey VQEAQCITUDPQOA-MUFRIFMGSA-N
Molecular Weight 567.520 g/mol
SMILES N(\N=C\(C1=CC=C(C=C1)Br)C)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C=1C=CC=CC1)=O