(4E)-4-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: (4E)-4-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4E)-4-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4E)-4-[[4-(2-hydroxyethylthio)-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4E)-4-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4E)-4-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)SCCO)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)SCCO)[N+](=O)[O-])/C(=O)N2

InChI

InChI=1S/C18H15N3O5S/c22-8-9-27-16-7-6-12(11-15(16)21(25)26)10-14-17(23)19-20(18(14)24)13-4-2-1-3-5-13/h1-7,10-11,22H,8-9H2,(H,19,23)/b14-10+