dimethyl-[2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylethyl]azanium

Systemtic Name: dimethyl-[2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylethyl]azanium Openeye Name: dimethyl-[2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylethyl]ammonium CAS Name: dimethyl-[2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]ethyl]ammonium IUPAC Name: dimethyl-[2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylethyl]azanium Traditional Name: 2-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]ethyl-dimethyl-ammonium Formula: C19H19F3N3OS+ MolecularWeight: 394.43387

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[NH+](C)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3N3OS/c1-24(2)10-11-27-18-23-16-9-4-3-8-15(16)17(26)25(18)14-7-5-6-13(12-14)19(20,21)22/h3-9,12H,10-11H2,1-2H3/p+1