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

Systemtic Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-fluorophenyl)acetamide Formula: C19H18FN3OS MolecularWeight: 355.429123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC(=CC=C3)F)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC(=CC=C3)F)C#N

InChI

InChI=1S/C19H18FN3OS/c1-12-15-7-2-3-8-16(15)17(10-21)19(22-12)25-11-18(24)23-14-6-4-5-13(20)9-14/h4-6,9H,2-3,7-8,11H2,1H3,(H,23,24)