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

Systemtic Name: (5E)-1-(3-bromophenyl)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(3-bromophenyl)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(3-bromophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(3-bromophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(3-bromophenyl)-2-thioxo-5-vanillylidene-hexahydropyrimidine-4,6-quinone Formula: C18H13BrN2O4S MolecularWeight: 433.27582

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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)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br)O

InChI

InChI=1S/C18H13BrN2O4S/c1-25-15-8-10(5-6-14(15)22)7-13-16(23)20-18(26)21(17(13)24)12-4-2-3-11(19)9-12/h2-9,22H,1H3,(H,20,23,26)/b13-7+