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

Systemtic Name: (4E)-4-[[3-butoxy-4-oxidanyl-5-(phenylsulfanylmethyl)phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4E)-4-[[3-butoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4E)-4-[[3-butoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4E)-4-[[3-butoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4E)-4-[3-butoxy-4-hydroxy-5-[(phenylthio)methyl]benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C/3\C(=O)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4S/c1-2-3-14-33-24-17-19(15-20(25(24)30)18-34-22-12-8-5-9-13-22)16-23-26(31)28-29(27(23)32)21-10-6-4-7-11-21/h4-13,15-17,30H,2-3,14,18H2,1H3,(H,28,31)/b23-16+