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

Systemtic Name: (5E)-1-(4-bromophenyl)-5-[(4-methyl-3-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(4-bromophenyl)-5-[(4-methyl-3-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(4-bromophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(4-bromophenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(4-bromophenyl)-5-(4-methyl-3-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H12BrN3O4S MolecularWeight: 446.27458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H12BrN3O4S/c1-10-2-3-11(9-15(10)22(25)26)8-14-16(23)20-18(27)21(17(14)24)13-6-4-12(19)5-7-13/h2-9H,1H3,(H,20,23,27)/b14-8+