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

Systemtic Name: 6-(3-bromophenyl)-2-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]pyridazin-3-one Openeye Name: 6-(3-bromophenyl)-2-[2-oxo-2-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]pyridazin-3-one CAS Name: 6-(3-bromophenyl)-2-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-pyridazinone IUPAC Name: 6-(3-bromophenyl)-2-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyridazin-3-one Traditional Name: 6-(3-bromophenyl)-2-[2-keto-2-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]pyridazin-3-one Formula: C26H21BrN4O2S MolecularWeight: 533.43954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C(=O)C=CC(=N3)C4=CC(=CC=C4)Br)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C(=O)C=CC(=N3)C4=CC(=CC=C4)Br)C5=CC=CS5

InChI

InChI=1S/C26H21BrN4O2S/c1-17-7-9-18(10-8-17)23-15-22(24-6-3-13-34-24)29-31(23)26(33)16-30-25(32)12-11-21(28-30)19-4-2-5-20(27)14-19/h2-14,23H,15-16H2,1H3