1-(4-bromophenyl)-2-isoquinolin-1-ylsulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-isoquinolin-1-ylsulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-(1-isoquinolylsulfanyl)ethanone CAS Name: 1-(4-bromophenyl)-2-(1-isoquinolinylthio)ethanone IUPAC Name: 1-(4-bromophenyl)-2-isoquinolin-1-ylsulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-(1-isoquinolylthio)ethanone Formula: C17H12BrNOS MolecularWeight: 358.25228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H12BrNOS/c18-14-7-5-13(6-8-14)16(20)11-21-17-15-4-2-1-3-12(15)9-10-19-17/h1-10H,11H2