5-[[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-(2-bromo-4-nitrophenyl)-2-furanyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H12BrN3O5S MolecularWeight: 450.26328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)C(=O)N(C1=S)C

InChI

InChI=1S/C17H12BrN3O5S/c1-19-15(22)12(16(23)20(2)17(19)27)8-10-4-6-14(26-10)11-5-3-9(21(24)25)7-13(11)18/h3-8H,1-2H3