2-isoquinolin-1-ylsulfanyl-1-phenyl-ethanone

Systemtic Name: 2-isoquinolin-1-ylsulfanyl-1-phenyl-ethanone Openeye Name: 2-(1-isoquinolylsulfanyl)-1-phenyl-ethanone CAS Name: 2-(1-isoquinolinylthio)-1-phenylethanone IUPAC Name: 2-isoquinolin-1-ylsulfanyl-1-phenylethanone Traditional Name: 2-(1-isoquinolylthio)-1-phenyl-ethanone Formula: C17H13NOS MolecularWeight: 279.35622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C17H13NOS/c19-16(14-7-2-1-3-8-14)12-20-17-15-9-5-4-6-13(15)10-11-18-17/h1-11H,12H2