2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-chloranylpyridin-2-yl)ethanamide

Systemtic Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-chloranylpyridin-2-yl)ethanamide Openeye Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-chloro-2-pyridyl)acetamide CAS Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(6-chloro-2-pyridinyl)acetamide IUPAC Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-chloropyridin-2-yl)acetamide Traditional Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(6-chloro-2-pyridyl)acetamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=NC(=CC=C3)Cl)C#N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=NC(=CC=C3)Cl)C#N

InChI

InChI=1S/C21H23ClN4OS/c1-21(2,3)15-7-8-16-13(10-15)9-14(11-23)20(24-16)28-12-19(27)26-18-6-4-5-17(22)25-18/h4-6,9,15H,7-8,10,12H2,1-3H3,(H,25,26,27)