1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinazolin-4-ylsulfanyl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinazolin-4-ylsulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinazolin-4-ylsulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-quinazolinylthio)-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinazolin-4-ylsulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(quinazolin-4-ylthio)propan-1-one Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3OS/c1-14(25-19-17-8-4-5-9-18(17)21-13-22-19)20(24)23-11-10-15-6-2-3-7-16(15)12-23/h2-9,13-14H,10-12H2,1H3