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6-(2-Ethoxycarbonylvinyl)-5-[(4-methoxyphenylamino)thiomorpholin-1-yl)methyleneamino]-3,4-diphenylthieno[2,3-c]pyridazine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6-(2-Ethoxycarbonylvinyl)-5-[(4-methoxyphenylamino)thiomorpholin-1-yl)methyleneamino]-3,4-diphenylthieno[2,3-c]pyridazine
SpectraBase Compound ID 5QVaANzMnzp
InChI InChI=1S/C35H33N5O3S2/c1-3-43-29(41)19-18-28-33(37-35(40-20-22-44-23-21-40)36-26-14-16-27(42-2)17-15-26)31-30(24-10-6-4-7-11-24)32(38-39-34(31)45-28)25-12-8-5-9-13-25/h4-19H,3,20-23H2,1-2H3,(H,36,37)/b19-18+
InChIKey JIUSXDYNTSEOOG-VHEBQXMUSA-N
Mol Weight 635.8 g/mol
Molecular Formula C35H33N5O3S2
Exact Mass 635.202482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JlaMEOaFjXU
Name 6-(2-Ethoxycarbonylvinyl)-5-[(4-methoxyphenylamino)thiomorpholin-1-yl)methyleneamino]-3,4-diphenylthieno[2,3-C]pyridazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 635.202482288 u
Formula C35H33N5O3S2
InChI InChI=1S/C35H33N5O3S2/c1-3-43-29(41)19-18-28-33(37-35(40-20-22-44-23-21-40)36-26-14-16-27(42-2)17-15-26)31-30(24-10-6-4-7-11-24)32(38-39-34(31)45-28)25-12-8-5-9-13-25/h4-19H,3,20-23H2,1-2H3,(H,36,37)/b19-18+
InChIKey JIUSXDYNTSEOOG-VHEBQXMUSA-N
Molecular Weight 635.801 g/mol
SMILES C=12C(\N=C\(N3CCSCC3)NC=3C=CC(OC)=CC3)=C(\C=C\C(=O)OCC)SC2=NN=C(C1C1=CC=CC=C1)C=1C=CC=CC1