(5E)-5-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-(3-iodo-5-methoxy-4-propargyloxy-benzylidene)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C15H10IN2O4S- MolecularWeight: 441.22037

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N=C2[O-])I)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=S)N=C2[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)/p-1