methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(trifluoromethyl)quinazolin-4-yl]thio]methyl]benzoic acid methyl ester Formula: C18H13F3N2O2S MolecularWeight: 378.36823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O2S/c1-25-16(24)12-6-4-5-11(9-12)10-26-15-13-7-2-3-8-14(13)22-17(23-15)18(19,20)21/h2-9H,10H2,1H3