(5E)-5-[[3-(3-bromanyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione

Systemtic Name: (5E)-5-[[3-(3-bromanyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione Openeye Name: (5E)-5-[[3-(3-bromo-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-ethyl-thiazolidine-2,4-dione CAS Name: (5E)-5-[[3-(3-bromo-4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-ethylthiazolidine-2,4-dione IUPAC Name: (5E)-5-[[3-(3-bromo-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione Traditional Name: (5E)-5-[[3-(3-bromo-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-ethyl-thiazolidine-2,4-quinone Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)Br)C4=CC=CC=C4)SC1=O

Isomeric SMILES

CCN1C(=O)/C(=C\C2=CN(N=C2C3=CC(=C(C=C3)OCC)Br)C4=CC=CC=C4)/SC1=O

InChI

InChI=1S/C23H20BrN3O3S/c1-3-26-22(28)20(31-23(26)29)13-16-14-27(17-8-6-5-7-9-17)25-21(16)15-10-11-19(30-4-2)18(24)12-15/h5-14H,3-4H2,1-2H3/b20-13+