1-(3-bromophenyl)-5-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-bromophenyl)-5-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-bromophenyl)-5-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-bromophenyl)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-bromophenyl)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-bromophenyl)-5-(3-chloro-4-hydroxy-5-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H12BrClN2O4S MolecularWeight: 467.72088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br)Cl)O

InChI

InChI=1S/C18H12BrClN2O4S/c1-26-14-7-9(6-13(20)15(14)23)5-12-16(24)21-18(27)22(17(12)25)11-4-2-3-10(19)8-11/h2-8,23H,1H3,(H,21,24,27)