methyl-[(4-methylsulfanylphenyl)methyl]-[[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]azanium Traditional Name: [4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H19F3N3OS+ MolecularWeight: 394.43387

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

InChI

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