5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(4-bromophenyl)pyrrol-2-yl]methylene]-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(4-bromophenyl)-2-pyrrolyl]methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-bromophenyl)pyrrol-2-yl]methylene]-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H16BrN3O2S MolecularWeight: 466.35034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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