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

Systemtic Name: 5-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C29H22BrN3O2S MolecularWeight: 556.47288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H22BrN3O2S/c1-19-17-21(20(2)31(19)25-15-13-22(30)14-16-25)18-26-27(34)32(23-9-5-3-6-10-23)29(36)33(28(26)35)24-11-7-4-8-12-24/h3-18H,1-2H3