2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide CAS Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide Traditional Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(2-fluorophenyl)acetamide Formula: C20H20FN3OS MolecularWeight: 369.455703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=CC=C3F)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=CC=C3F)C#N

InChI

InChI=1S/C20H20FN3OS/c1-2-17-14-8-4-3-7-13(14)15(11-22)20(24-17)26-12-19(25)23-18-10-6-5-9-16(18)21/h5-6,9-10H,2-4,7-8,12H2,1H3,(H,23,25)