5-[(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-bromo-5-ethoxy-4-hydroxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-bromo-5-ethoxy-4-hydroxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H11BrN2O4S MolecularWeight: 371.20644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)O

InChI

InChI=1S/C13H11BrN2O4S/c1-2-20-9-5-6(4-8(14)10(9)17)3-7-11(18)15-13(21)16-12(7)19/h3-5,17H,2H2,1H3,(H2,15,16,18,19,21)