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

Systemtic Name: 5-[(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]-1-(2,3-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-bromo-5-ethoxy-4-hydroxy-phenyl)methylene]-1-(2,3-dimethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(2,3-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(2,3-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-bromo-5-ethoxy-4-hydroxy-benzylidene)-1-(2,3-dimethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3C)C)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3C)C)Br)O

InChI

InChI=1S/C21H19BrN2O4S/c1-4-28-17-10-13(9-15(22)18(17)25)8-14-19(26)23-21(29)24(20(14)27)16-7-5-6-11(2)12(16)3/h5-10,25H,4H2,1-3H3,(H,23,26,29)