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

Systemtic Name: (5E)-1-(4-bromanyl-2-methyl-phenyl)-5-[(4-methoxy-3-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(4-bromo-2-methyl-phenyl)-5-[(4-methoxy-3-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(4-bromo-2-methylphenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(4-bromo-2-methylphenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(4-bromo-2-methyl-phenyl)-5-(4-methoxy-3-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H14BrN3O5S MolecularWeight: 476.30056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C/C3=CC(=C(C=C3)OC)[N+](=O)[O-])/C(=O)NC2=S

InChI

InChI=1S/C19H14BrN3O5S/c1-10-7-12(20)4-5-14(10)22-18(25)13(17(24)21-19(22)29)8-11-3-6-16(28-2)15(9-11)23(26)27/h3-9H,1-2H3,(H,21,24,29)/b13-8+