(5E)-1-[2,3-bis(chloranyl)phenyl]-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-[2,3-bis(chloranyl)phenyl]-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylene]-1-(2,3-dichlorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[[1-(3-bromophenyl)-2-pyrrolyl]methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylene]-1-(2,3-dichlorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H12BrCl2N3O2S MolecularWeight: 521.21388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C=CC=C2/C=C/3\C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C21H12BrCl2N3O2S/c22-12-4-1-5-13(10-12)26-9-3-6-14(26)11-15-19(28)25-21(30)27(20(15)29)17-8-2-7-16(23)18(17)24/h1-11H,(H,25,28,30)/b15-11+