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

Systemtic Name: 5-[[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-(2-bromo-4-nitrophenyl)-2-furanyl]methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H16BrN3O5S MolecularWeight: 478.31644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)C(=O)N(C1=S)CC

InChI

InChI=1S/C19H16BrN3O5S/c1-3-21-17(24)14(18(25)22(4-2)19(21)29)10-12-6-8-16(28-12)13-7-5-11(23(26)27)9-15(13)20/h5-10H,3-4H2,1-2H3