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

Systemtic Name: (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[4-(4-chlorobenzyl)oxy-3-methoxy-benzylidene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C19H14ClN2O4S- MolecularWeight: 401.84346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N=C2[O-])OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)N=C2[O-])OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H15ClN2O4S/c1-25-16-9-12(8-14-17(23)21-19(27)22-18(14)24)4-7-15(16)26-10-11-2-5-13(20)6-3-11/h2-9H,10H2,1H3,(H2,21,22,23,24,27)/p-1