2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]quinazolin-4-olate CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-4-quinazolinolate IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]quinazolin-4-olate Formula: C16H12FN2O2S- MolecularWeight: 315.342083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3C(=N2)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3C(=N2)[O-])F

InChI

InChI=1S/C16H13FN2O2S/c1-21-14-7-6-10(8-12(14)17)9-22-16-18-13-5-3-2-4-11(13)15(20)19-16/h2-8H,9H2,1H3,(H,18,19,20)/p-1