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

Systemtic Name: 2-(3,4-dihydroisoquinolin-1-ylsulfanyl)-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(3,4-dihydroisoquinolin-1-ylsulfanyl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(3,4-dihydroisoquinolin-1-ylthio)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(3,4-dihydroisoquinolin-1-ylsulfanyl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(3,4-dihydroisoquinolin-1-ylthio)-1-(4-methoxyphenyl)ethanone bromide Formula: C18H17BrNO2S- MolecularWeight: 391.30208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NCCC3=CC=CC=C32.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NCCC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C18H17NO2S.BrH/c1-21-15-8-6-14(7-9-15)17(20)12-22-18-16-5-3-2-4-13(16)10-11-19-18;/h2-9H,10-12H2,1H3;1H/p-1