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

Systemtic Name: 2-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-6-phenyl-pyridazin-3-one Openeye Name: 2-[2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-6-phenyl-pyridazin-3-one CAS Name: 2-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-6-phenylpyridazin-3-one Traditional Name: 2-[2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-6-phenyl-pyridazin-3-one Formula: C27H24N4O4S MolecularWeight: 500.56886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O4S/c1-34-23-12-10-19(15-24(23)35-2)22-16-21(25-9-6-14-36-25)29-31(22)27(33)17-30-26(32)13-11-20(28-30)18-7-4-3-5-8-18/h3-15,22H,16-17H2,1-2H3