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

Systemtic Name: 2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-phenyl-pyrimidin-4-olate CAS Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-phenylpyrimidin-4-olate Traditional Name: 2-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]-6-phenyl-pyrimidin-4-olate Formula: C25H15ClN3O2S- MolecularWeight: 456.9235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C25H16ClN3O2S/c26-17-11-12-19-18(13-17)22(16-9-5-2-6-10-16)23(24(31)27-19)32-25-28-20(14-21(30)29-25)15-7-3-1-4-8-15/h1-14H,(H,27,31)(H,28,29,30)/p-1