2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-(4-methoxyphenyl)pyrimidin-4-olate

Systemtic Name: 2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-(4-methoxyphenyl)pyrimidin-4-olate Openeye Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-(4-methoxyphenyl)pyrimidin-4-olate CAS Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]-6-(4-methoxyphenyl)-4-pyrimidinolate IUPAC Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-(4-methoxyphenyl)pyrimidin-4-olate Traditional Name: 2-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]-6-(4-methoxyphenyl)pyrimidin-4-olate Formula: C26H17ClN3O3S- MolecularWeight: 486.94948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SC3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SC3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C26H18ClN3O3S/c1-33-18-10-7-15(8-11-18)21-14-22(31)30-26(29-21)34-24-23(16-5-3-2-4-6-16)19-13-17(27)9-12-20(19)28-25(24)32/h2-14H,1H3,(H,28,32)(H,29,30,31)/p-1