1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propan-1-one Formula: C21H18F3N3OS MolecularWeight: 417.44733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H18F3N3OS/c1-13(19(28)27-11-10-14-6-2-3-7-15(14)12-27)29-18-16-8-4-5-9-17(16)25-20(26-18)21(22,23)24/h2-9,13H,10-12H2,1H3