N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]quinoline-2-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]quinoline-2-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]quinoline-2-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-quinolinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]quinoline-2-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]quinaldamide Formula: C20H17N3OS MolecularWeight: 347.43348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H17N3OS/c21-13-16-6-1-2-7-17(16)14-25-12-11-22-20(24)19-10-9-15-5-3-4-8-18(15)23-19/h1-10H,11-12,14H2,(H,22,24)