2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetate CAS Name: 2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]acetate IUPAC Name: 2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]acetate Formula: C11H10F3N2O2S- MolecularWeight: 291.26951

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)SCC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)SCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H11F3N2O2S/c12-11(13,14)9-6-3-1-2-4-7(6)15-10(16-9)19-5-8(17)18/h1-5H2,(H,17,18)/p-1