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

Systemtic Name: 2-[(4-cyano-1-pyridin-3-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-cyano-1-(3-pyridyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[4-cyano-1-(3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[(4-cyano-1-pyridin-3-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[4-cyano-1-(3-pyridyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-N-isopropyl-acetamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC(=C2CCCCC2=C1C#N)C3=CN=CC=C3

Isomeric SMILES

CC(C)NC(=O)CSC1=NC(=C2CCCCC2=C1C#N)C3=CN=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-13(2)23-18(25)12-26-20-17(10-21)15-7-3-4-8-16(15)19(24-20)14-6-5-9-22-11-14/h5-6,9,11,13H,3-4,7-8,12H2,1-2H3,(H,23,25)