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

Systemtic Name: (5E)-5-[[3-(3-bromanyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: (5E)-5-[[3-(3-bromo-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazolidine-2,4-dione CAS Name: (5E)-5-[[3-(3-bromo-4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]thiazolidine-2,4-dione IUPAC Name: (5E)-5-[[3-(3-bromo-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: (5E)-5-[[3-(3-bromo-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazolidine-2,4-quinone Formula: C21H16BrN3O3S MolecularWeight: 470.33904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)S3)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)NC(=O)S3)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H16BrN3O3S/c1-2-28-17-9-8-13(10-16(17)22)19-14(11-18-20(26)23-21(27)29-18)12-25(24-19)15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,23,26,27)/b18-11+