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

Systemtic Name: 5-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-chloro-4-hydroxy-5-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H9ClN2O4S MolecularWeight: 312.72886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Cl)O

InChI

InChI=1S/C12H9ClN2O4S/c1-19-8-4-5(3-7(13)9(8)16)2-6-10(17)14-12(20)15-11(6)18/h2-4,16H,1H3,(H2,14,15,17,18,20)