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

Systemtic Name: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone bromide Openeye Name: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone bromide CAS Name: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylthio)ethanone bromide IUPAC Name: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone bromide Traditional Name: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylthio)ethanone bromide Formula: C17H13BrCl2NOS- MolecularWeight: 430.16622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13Cl2NOS.BrH/c18-14-6-5-12(9-15(14)19)16(21)10-22-17-13-4-2-1-3-11(13)7-8-20-17;/h1-6,9H,7-8,10H2;1H/p-1