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(E)-3-[5-[[diethylamino-(4-fluoroanilino)methylene]amino]-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl]acrylic acid ethyl ester

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(E)-3-[5-[[diethylamino-(4-fluoroanilino)methylene]amino]-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl]acrylic acid ethyl ester
SpectraBase Compound ID 39sVCcCEmBj
InChI InChI=1S/C34H32FN5O2S/c1-4-40(5-2)34(36-26-19-17-25(35)18-20-26)37-32-27(21-22-28(41)42-6-3)43-33-30(32)29(23-13-9-7-10-14-23)31(38-39-33)24-15-11-8-12-16-24/h7-22H,4-6H2,1-3H3,(H,36,37)/b22-21+
InChIKey CIAQGYFKAWMICO-QURGRASLSA-N
Mol Weight 593.7 g/mol
Molecular Formula C34H32FN5O2S
Exact Mass 593.226075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5MaIRVgsE29
Name (E)-3-[5-[[Diethylamino-(4-fluoroanilino)methylene]amino]-3,4-diphenyl-thieno[2,3-C]pyridazin-6-yl]acrylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 593.226074625 u
Formula C34H32FN5O2S
InChI InChI=1S/C34H32FN5O2S/c1-4-40(5-2)34(36-26-19-17-25(35)18-20-26)37-32-27(21-22-28(41)42-6-3)43-33-30(32)29(23-13-9-7-10-14-23)31(38-39-33)24-15-11-8-12-16-24/h7-22H,4-6H2,1-3H3,(H,36,37)/b22-21+
InChIKey CIAQGYFKAWMICO-QURGRASLSA-N
Molecular Weight 593.721 g/mol
SMILES C=12C(\N=C\(NC3=CC=C(C=C3)F)N(CC)CC)=C(\C=C\C(=O)OCC)SC1N=NC(=C2C1=CC=CC=C1)C=1C=CC=CC1