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

Systemtic Name: (4E)-4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4E)-4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4E)-4-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4E)-4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4E)-4-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C22H14ClN3O4S MolecularWeight: 451.88226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-])/C(=O)N2

InChI

InChI=1S/C22H14ClN3O4S/c23-15-7-9-17(10-8-15)31-20-11-6-14(13-19(20)26(29)30)12-18-21(27)24-25(22(18)28)16-4-2-1-3-5-16/h1-13H,(H,24,27)/b18-12+