2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoic acid Openeye Name: 2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetic acid CAS Name: 2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetic acid IUPAC Name: 2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetic acid Formula: C11H7F3N2O2S MolecularWeight: 288.24569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(=O)O

InChI

InChI=1S/C11H7F3N2O2S/c12-11(13,14)10-15-7-4-2-1-3-6(7)9(16-10)19-5-8(17)18/h1-4H,5H2,(H,17,18)