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

Systemtic Name: 3-(3-chlorophenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chlorophenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chlorophenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chlorophenyl)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C25H20ClN3O2S MolecularWeight: 461.9632

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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(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN3O2S/c26-19-8-5-9-20(14-19)29-24(31)21-10-3-4-11-22(21)27-25(29)32-16-23(30)28-13-12-17-6-1-2-7-18(17)15-28/h1-11,14H,12-13,15-16H2