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

Systemtic Name: 5-[[1-(4-iodanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H20IN3O2S MolecularWeight: 541.40397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20IN3O2S/c1-14-11-19(9-10-21(14)25)27-15(2)12-17(16(27)3)13-20-22(29)26-24(31)28(23(20)30)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,26,29,31)