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

Systemtic Name: 1-(4-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone hydrobromide Openeye Name: 1-(4-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone hydrobromide CAS Name: 1-(4-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylthio)ethanone hydrobromide IUPAC Name: 1-(4-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone hydrobromide Traditional Name: 1-(4-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylthio)ethanone hydrobromide Formula: C17H15BrClNOS MolecularWeight: 396.7291

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC=CC=C21)SCC(=O)C3=CC=C(C=C3)Cl.Br

Isomeric SMILES

C1CN=C(C2=CC=CC=C21)SCC(=O)C3=CC=C(C=C3)Cl.Br

InChI

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