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

Systemtic Name: (4E)-4-[[3-ethoxy-4-oxidanyl-5-(phenylsulfanylmethyl)phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4E)-4-[[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4E)-4-[[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4E)-4-[[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4E)-4-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S/c1-2-31-22-15-17(13-18(23(22)28)16-32-20-11-7-4-8-12-20)14-21-24(29)26-27(25(21)30)19-9-5-3-6-10-19/h3-15,28H,2,16H2,1H3,(H,26,29)/b21-14+