1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C26H23N3OS MolecularWeight: 425.54532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=NC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=NC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H23N3OS/c30-25(29-15-14-20-10-4-5-11-21(20)17-29)18-31-26-22-12-6-7-13-23(22)27-24(28-26)16-19-8-2-1-3-9-19/h1-13H,14-18H2