1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone bromide

Systemtic Name: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone bromide Openeye Name: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone bromide CAS Name: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylthio)ethanone bromide IUPAC Name: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone bromide Traditional Name: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylthio)ethanone bromide Formula: C17H14BrClNOS- MolecularWeight: 395.72116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC=CC=C21)SCC(=O)C3=CC=CC=C3Cl.[Br-]

Isomeric SMILES

C1CN=C(C2=CC=CC=C21)SCC(=O)C3=CC=CC=C3Cl.[Br-]

InChI

InChI=1S/C17H14ClNOS.BrH/c18-15-8-4-3-7-14(15)16(20)11-21-17-13-6-2-1-5-12(13)9-10-19-17;/h1-8H,9-11H2;1H/p-1