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

Systemtic Name: 2-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[(4-oxo-3-phenyl-quinazolin-2-yl)methylsulfanyl]quinazolin-4-olate CAS Name: 2-[(4-oxo-3-phenyl-2-quinazolinyl)methylthio]-4-quinazolinolate IUPAC Name: 2-[(4-oxo-3-phenylquinazolin-2-yl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[(4-keto-3-phenyl-quinazolin-2-yl)methylthio]quinazolin-4-olate Formula: C23H15N4O2S- MolecularWeight: 411.4558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC5=CC=CC=C5C(=N4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC5=CC=CC=C5C(=N4)[O-]

InChI

InChI=1S/C23H16N4O2S/c28-21-16-10-4-6-12-18(16)25-23(26-21)30-14-20-24-19-13-7-5-11-17(19)22(29)27(20)15-8-2-1-3-9-15/h1-13H,14H2,(H,25,26,28)/p-1