(4Z)-4-[(5-methyl-1-phenyl-pyrazol-4-yl)-oxidanyl-methylidene]-1-(pyridin-3-ylmethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (4Z)-4-[(5-methyl-1-phenyl-pyrazol-4-yl)-oxidanyl-methylidene]-1-(pyridin-3-ylmethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4Z)-4-[hydroxy-(5-methyl-1-phenyl-pyrazol-4-yl)methylene]-1-(3-pyridylmethyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4Z)-4-[hydroxy-(5-methyl-1-phenyl-4-pyrazolyl)methylidene]-1-(3-pyridinylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4Z)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4Z)-4-[hydroxy-(5-methyl-1-phenyl-pyrazol-4-yl)methylene]-1-(3-pyridylmethyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C25H20N4O3S MolecularWeight: 456.5163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CS5)O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CS5)/O

InChI

InChI=1S/C25H20N4O3S/c1-16-19(14-27-29(16)18-8-3-2-4-9-18)23(30)21-22(20-10-6-12-33-20)28(25(32)24(21)31)15-17-7-5-11-26-13-17/h2-14,22,30H,15H2,1H3/b23-21-