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

Systemtic Name: (5E)-1-(4-bromophenyl)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(4-bromophenyl)-5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(4-bromophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(4-bromophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(4-bromophenyl)-5-(4-hydroxy-3-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H10BrN3O5S MolecularWeight: 448.2474

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H10BrN3O5S/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)/b12-7+