(5E)-1-(4-bromanyl-2-methyl-phenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-(4-bromanyl-2-methyl-phenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(4-bromo-2-methyl-phenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(4-bromo-2-methylphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(4-bromo-2-methylphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(4-bromo-2-methyl-phenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H15BrN2O2S MolecularWeight: 427.3143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC=CC3=CC=CC=C3)C(=O)NC2=S

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C/C=C/C3=CC=CC=C3)/C(=O)NC2=S

InChI

InChI=1S/C20H15BrN2O2S/c1-13-12-15(21)10-11-17(13)23-19(25)16(18(24)22-20(23)26)9-5-8-14-6-3-2-4-7-14/h2-12H,1H3,(H,22,24,26)/b8-5+,16-9+