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

Systemtic Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-pyridin-3-yl-propanamide Openeye Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-pyridyl)propanamide CAS Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-pyridinyl)propanamide IUPAC Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-pyridin-3-ylpropanamide Traditional Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-pyridyl)propionamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CN=CC=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CN=CC=C3)C#N

InChI

InChI=1S/C18H18N4OS/c19-11-14-10-13-4-1-2-6-16(13)22-18(14)24-9-7-17(23)21-15-5-3-8-20-12-15/h3,5,8,10,12H,1-2,4,6-7,9H2,(H,21,23)