(5Z)-1-(4-fluorophenyl)-5-[(4-morpholin-4-ium-4-ylphenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-1-(4-fluorophenyl)-5-[(4-morpholin-4-ium-4-ylphenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-(4-fluorophenyl)-5-[(4-morpholin-4-ium-4-ylphenyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-(4-fluorophenyl)-5-[[4-(4-morpholin-4-iumyl)phenyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-(4-fluorophenyl)-5-[(4-morpholin-4-ium-4-ylphenyl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-(4-fluorophenyl)-6-keto-5-(4-morpholin-4-ium-4-ylbenzylidene)-2-thioxo-pyrimidin-4-olate Formula: C21H18FN3O3S MolecularWeight: 411.449323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2=CC=C(C=C2)C=C3C(=NC(=S)N(C3=O)C4=CC=C(C=C4)F)[O-]

Isomeric SMILES

C1COCC[NH+]1C2=CC=C(C=C2)/C=C\3/C(=NC(=S)N(C3=O)C4=CC=C(C=C4)F)[O-]

InChI

InChI=1S/C21H18FN3O3S/c22-15-3-7-17(8-4-15)25-20(27)18(19(26)23-21(25)29)13-14-1-5-16(6-2-14)24-9-11-28-12-10-24/h1-8,13H,9-12H2,(H,23,26,29)/b18-13-