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

Systemtic Name: (5E)-1-(3-bromophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(3-bromophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(3-bromophenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(3-bromophenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(3-bromophenyl)-5-(4-methoxy-3-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H12BrN3O5S MolecularWeight: 462.27398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H12BrN3O5S/c1-27-15-6-5-10(8-14(15)22(25)26)7-13-16(23)20-18(28)21(17(13)24)12-4-2-3-11(19)9-12/h2-9H,1H3,(H,20,23,28)/b13-7+