1-(4-methylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(4-methylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one Openeye Name: 1-(p-tolyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one CAS Name: 1-(4-methylphenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]-1-propanone IUPAC Name: 1-(4-methylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropan-1-one Traditional Name: 1-(p-tolyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propan-1-one Formula: C19H15F3N2OS MolecularWeight: 376.39541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H15F3N2OS/c1-11-7-9-13(10-8-11)16(25)12(2)26-17-14-5-3-4-6-15(14)23-18(24-17)19(20,21)22/h3-10,12H,1-2H3