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

Systemtic Name: methyl 4-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[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=C(C=C1)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

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

InChI

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