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

Systemtic Name: 1-(3-bromophenyl)-5-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-bromophenyl)-5-[(4,5-dimethoxy-2-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-bromophenyl)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-bromophenyl)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-bromophenyl)-5-(4,5-dimethoxy-2-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H14BrN3O6S MolecularWeight: 492.29996

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN3O6S/c1-28-15-7-10(14(23(26)27)9-16(15)29-2)6-13-17(24)21-19(30)22(18(13)25)12-5-3-4-11(20)8-12/h3-9H,1-2H3,(H,21,24,30)