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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-[(4-fluorophenyl)methyl]-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-(4-fluorobenzyl)quinazolin-4-one Formula: C26H22FN3O2S MolecularWeight: 459.535183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

InChI

InChI=1S/C26H22FN3O2S/c27-21-11-9-18(10-12-21)15-30-25(32)22-7-3-4-8-23(22)28-26(30)33-17-24(31)29-14-13-19-5-1-2-6-20(19)16-29/h1-12H,13-17H2