6-(4-ethoxyphenyl)-2-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]pyridazin-3-one

Systemtic Name: 6-(4-ethoxyphenyl)-2-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]pyridazin-3-one Openeye Name: 6-(4-ethoxyphenyl)-2-[2-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]pyridazin-3-one CAS Name: 6-(4-ethoxyphenyl)-2-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-pyridazinone IUPAC Name: 6-(4-ethoxyphenyl)-2-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyridazin-3-one Traditional Name: 2-[2-keto-2-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]-6-p-phenetyl-pyridazin-3-one Formula: C28H26N4O4S MolecularWeight: 514.59544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H26N4O4S/c1-3-36-22-12-6-19(7-13-22)23-14-15-27(33)31(29-23)18-28(34)32-25(20-8-10-21(35-2)11-9-20)17-24(30-32)26-5-4-16-37-26/h4-16,25H,3,17-18H2,1-2H3