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

Systemtic Name: 5-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(5-bromo-2-hydroxy-phenyl)methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-bromo-2-hydroxyphenyl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-bromo-2-hydroxyphenyl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(5-bromo-2-hydroxy-benzylidene)-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H13BrN2O3S MolecularWeight: 417.27642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)O)C(=O)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)O)C(=O)NC2=S

InChI

InChI=1S/C18H13BrN2O3S/c1-10-2-5-13(6-3-10)21-17(24)14(16(23)20-18(21)25)9-11-8-12(19)4-7-15(11)22/h2-9,22H,1H3,(H,20,23,25)