6-(2-Ethoxycarbonylvinyl)-3,4-diphenyl-5-(phenylaminopiperidin-1-ylmethyleneamino)thieno[2,3-c]pyridazine

SpectraBase Compound ID	9DBEISOBAcY
InChI	InChI=1S/C35H33N5O2S/c1-2-42-29(41)22-21-28-33(37-35(40-23-13-6-14-24-40)36-27-19-11-5-12-20-27)31-30(25-15-7-3-8-16-25)32(38-39-34(31)43-28)26-17-9-4-10-18-26/h3-5,7-12,15-22H,2,6,13-14,23-24H2,1H3,(H,36,37)/b22-21+
InChIKey	CIIZORZFGLROEN-QURGRASLSA-N Google Search
Mol Weight	587.7 g/mol
Molecular Formula	C35H33N5O2S
Exact Mass	587.235496 g/mol

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SpectraBase Spectrum ID	LSHcyEG2lIM
Name	6-(2-Ethoxycarbonylvinyl)-3,4-diphenyl-5-(phenylaminopiperidin-1-ylmethyleneamino)thieno[2,3-C]pyridazine
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	587.235496495 u
Formula	C35H33N5O2S
InChI	InChI=1S/C35H33N5O2S/c1-2-42-29(41)22-21-28-33(37-35(40-23-13-6-14-24-40)36-27-19-11-5-12-20-27)31-30(25-15-7-3-8-16-25)32(38-39-34(31)43-28)26-17-9-4-10-18-26/h3-5,7-12,15-22H,2,6,13-14,23-24H2,1H3,(H,36,37)/b22-21+
InChIKey	CIIZORZFGLROEN-QURGRASLSA-N
Molecular Weight	587.742 g/mol
SMILES	C=12C(\N=C\(N3CCCCC3)NC=3C=CC=CC3)=C(\C=C\C(=O)OCC)SC2=NN=C(C1C=1C=CC=CC1)C1=CC=CC=C1