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3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid

3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid

Systemtic Name:3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid
Openeye Name:3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid
CAS Name:3-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanoic acid
IUPAC Name:3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid
Traditional Name:3-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionic acid
Formula: C12H9F3N2O2S
MolecularWeight: 302.27227
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H9F3N2O2S/c13-12(14,15)11-16-8-4-2-1-3-7(8)10(17-11)20-6-5-9(18)19/h1-4H,5-6H2,(H,18,19)


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