5-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-iodo-5-methoxy-4-propargyloxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H11IN2O4S MolecularWeight: 442.22831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)I)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)I)OCC#C

InChI

InChI=1S/C15H11IN2O4S/c1-3-4-22-12-10(16)6-8(7-11(12)21-2)5-9-13(19)17-15(23)18-14(9)20/h1,5-7H,4H2,2H3,(H2,17,18,19,20,23)