(4E)-4-[[3-[(4-bromophenyl)sulfanylmethyl]-5-ethoxy-4-oxidanyl-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: (4E)-4-[[3-[(4-bromophenyl)sulfanylmethyl]-5-ethoxy-4-oxidanyl-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4E)-4-[[3-[(4-bromophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxy-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4E)-4-[[3-[[(4-bromophenyl)thio]methyl]-5-ethoxy-4-hydroxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4E)-4-[[3-[(4-bromophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4E)-4-[3-[[(4-bromophenyl)thio]methyl]-5-ethoxy-4-hydroxy-benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C25H21BrN2O4S MolecularWeight: 525.41424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)CSC2=CC=C(C=C2)Br)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CSC2=CC=C(C=C2)Br)/C=C/3\C(=O)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21BrN2O4S/c1-2-32-22-14-16(12-17(23(22)29)15-33-20-10-8-18(26)9-11-20)13-21-24(30)27-28(25(21)31)19-6-4-3-5-7-19/h3-14,29H,2,15H2,1H3,(H,27,30)/b21-13+