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

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-5-[(1-phenylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromo-2-methyl-phenyl)-5-[(1-phenylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromo-2-methylphenyl)-5-[(1-phenyl-2-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromo-2-methylphenyl)-5-[(1-phenylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromo-2-methyl-phenyl)-5-[(1-phenylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H16BrN3O2S MolecularWeight: 466.35034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=CN3C4=CC=CC=C4)C(=O)NC2=S

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=CN3C4=CC=CC=C4)C(=O)NC2=S

InChI

InChI=1S/C22H16BrN3O2S/c1-14-12-15(23)9-10-19(14)26-21(28)18(20(27)24-22(26)29)13-17-8-5-11-25(17)16-6-3-2-4-7-16/h2-13H,1H3,(H,24,27,29)