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

Systemtic Name: 6-chloranyl-2-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)methylsulfanyl]quinazolin-4-olate Openeye Name: 6-chloro-2-[(4-oxo-3-phenyl-quinazolin-2-yl)methylsulfanyl]quinazolin-4-olate CAS Name: 6-chloro-2-[(4-oxo-3-phenyl-2-quinazolinyl)methylthio]-4-quinazolinolate IUPAC Name: 6-chloro-2-[(4-oxo-3-phenylquinazolin-2-yl)methylsulfanyl]quinazolin-4-olate Traditional Name: 6-chloro-2-[(4-keto-3-phenyl-quinazolin-2-yl)methylthio]quinazolin-4-olate Formula: C23H14ClN4O2S- MolecularWeight: 445.90086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC5=C(C=C(C=C5)Cl)C(=N4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC5=C(C=C(C=C5)Cl)C(=N4)[O-]

InChI

InChI=1S/C23H15ClN4O2S/c24-14-10-11-19-17(12-14)21(29)27-23(26-19)31-13-20-25-18-9-5-4-8-16(18)22(30)28(20)15-6-2-1-3-7-15/h1-12H,13H2,(H,26,27,29)/p-1