2-[[4-oxidanylidene-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[[4-oxidanylidene-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[[4-oxo-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]methylsulfanyl]quinazolin-4-olate CAS Name: 2-[[4-oxo-3-[2-(trifluoromethyl)phenyl]-2-quinazolinyl]methylthio]-4-quinazolinolate IUPAC Name: 2-[[4-oxo-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[[4-keto-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]methylthio]quinazolin-4-olate Formula: C24H14F3N4O2S- MolecularWeight: 479.45377

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(F)(F)F)[O-]

InChI

InChI=1S/C24H15F3N4O2S/c25-24(26,27)16-9-3-6-12-19(16)31-20(28-18-11-5-2-8-15(18)22(31)33)13-34-23-29-17-10-4-1-7-14(17)21(32)30-23/h1-12H,13H2,(H,29,30,32)/p-1