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

Systemtic Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-chloranylpyridin-2-yl)propanamide Openeye Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-chloro-2-pyridyl)propanamide CAS Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(5-chloro-2-pyridinyl)propanamide IUPAC Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-chloropyridin-2-yl)propanamide Traditional Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(5-chloro-2-pyridyl)propionamide Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

InChI

InChI=1S/C22H25ClN4OS/c1-13(20(28)27-19-8-6-17(23)12-25-19)29-21-15(11-24)9-14-10-16(22(2,3)4)5-7-18(14)26-21/h6,8-9,12-13,16H,5,7,10H2,1-4H3,(H,25,27,28)