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

Systemtic Name: 5-[[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H16BrN3O2S MolecularWeight: 418.30754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C18H16BrN3O2S/c1-9-6-13(4-5-15(9)19)22-10(2)7-12(11(22)3)8-14-16(23)20-18(25)21-17(14)24/h4-8H,1-3H3,(H2,20,21,23,24,25)