N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-4-methoxy-benzamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-4-methoxy-benzamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-4-methoxy-benzamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]-4-oxo-3-quinazolinyl]-4-methoxybenzamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-quinazolin-3-yl]-4-methoxy-benzamide Formula: C23H17ClFN3O3S MolecularWeight: 469.915783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H17ClFN3O3S/c1-31-15-11-9-14(10-12-15)21(29)27-28-22(30)16-5-2-3-8-20(16)26-23(28)32-13-17-18(24)6-4-7-19(17)25/h2-12H,13H2,1H3,(H,27,29)