1-(4-chlorophenyl)-5-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-chlorophenyl)-5-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-chlorophenyl)-5-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-chlorophenyl)-5-[[2,5-dimethyl-1-(4-phenylphenyl)-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-chlorophenyl)-5-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-chlorophenyl)-5-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C29H22ClN3O2S MolecularWeight: 512.02188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)C)C=C4C(=O)NC(=S)N(C4=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)C)C=C4C(=O)NC(=S)N(C4=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H22ClN3O2S/c1-18-16-22(19(2)32(18)24-12-8-21(9-13-24)20-6-4-3-5-7-20)17-26-27(34)31-29(36)33(28(26)35)25-14-10-23(30)11-15-25/h3-17H,1-2H3,(H,31,34,36)