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

Systemtic Name: 5-[(2-bromanyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-bromo-5-ethoxy-4-hydroxy-phenyl)methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2-bromo-5-ethoxy-4-hydroxy-benzylidene)-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H17BrN2O4S MolecularWeight: 461.32898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O4S/c1-3-27-17-9-12(14(21)10-16(17)24)8-13-18(25)22-20(28)23(19(13)26)15-7-5-4-6-11(15)2/h4-10,24H,3H2,1-2H3,(H,22,25,28)