N-[3,5-bis(chloranyl)phenyl]-2-isoquinolin-1-ylsulfanyl-ethanamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-2-isoquinolin-1-ylsulfanyl-ethanamide Openeye Name: N-(3,5-dichlorophenyl)-2-(1-isoquinolylsulfanyl)acetamide CAS Name: N-(3,5-dichlorophenyl)-2-(1-isoquinolinylthio)acetamide IUPAC Name: N-(3,5-dichlorophenyl)-2-isoquinolin-1-ylsulfanylacetamide Traditional Name: N-(3,5-dichlorophenyl)-2-(1-isoquinolylthio)acetamide Formula: C17H12Cl2N2OS MolecularWeight: 363.26098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H12Cl2N2OS/c18-12-7-13(19)9-14(8-12)21-16(22)10-23-17-15-4-2-1-3-11(15)5-6-20-17/h1-9H,10H2,(H,21,22)