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

Systemtic Name: 6-(4-bromophenyl)-2-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]pyridazin-3-one Openeye Name: 6-(4-bromophenyl)-2-[2-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]pyridazin-3-one CAS Name: 6-(4-bromophenyl)-2-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-pyridazinone IUPAC Name: 6-(4-bromophenyl)-2-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyridazin-3-one Traditional Name: 6-(4-bromophenyl)-2-[2-keto-2-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]pyridazin-3-one Formula: C26H21BrN4O3S MolecularWeight: 549.43894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Br)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Br)C5=CC=CS5

InChI

InChI=1S/C26H21BrN4O3S/c1-34-20-10-6-18(7-11-20)23-15-22(24-3-2-14-35-24)29-31(23)26(33)16-30-25(32)13-12-21(28-30)17-4-8-19(27)9-5-17/h2-14,23H,15-16H2,1H3