2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-(4-fluorophenyl)quinazolin-4-one Formula: C25H20FN3O2S MolecularWeight: 445.508603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C25H20FN3O2S/c26-19-9-11-20(12-10-19)29-24(31)21-7-3-4-8-22(21)27-25(29)32-16-23(30)28-14-13-17-5-1-2-6-18(17)15-28/h1-12H,13-16H2