1-(4-chlorophenyl)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-chlorophenyl)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-chlorophenyl)-5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-chlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-chlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-chlorophenyl)-5-(4-hydroxy-3-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H10ClN3O5S MolecularWeight: 403.7964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)NC2=S)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)NC2=S)Cl

InChI

InChI=1S/C17H10ClN3O5S/c18-10-2-4-11(5-3-10)20-16(24)12(15(23)19-17(20)27)7-9-1-6-14(22)13(8-9)21(25)26/h1-8,22H,(H,19,23,27)