2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoate

Systemtic Name: 2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoate Openeye Name: 2-(6-fluoro-2-phenyl-quinazolin-4-yl)sulfanylacetate CAS Name: 2-[(6-fluoro-2-phenyl-4-quinazolinyl)thio]acetate IUPAC Name: 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate Traditional Name: 2-[(6-fluoro-2-phenyl-quinazolin-4-yl)thio]acetate Formula: C16H10FN2O2S- MolecularWeight: 313.326203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=N2)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=N2)SCC(=O)[O-]

InChI

InChI=1S/C16H11FN2O2S/c17-11-6-7-13-12(8-11)16(22-9-14(20)21)19-15(18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21)/p-1