N-[2-(cyanomethylsulfanyl)phenyl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(4,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(4,8-dimethyl-2-quinolyl)thio]acetamide Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H19N3OS2/c1-14-6-5-7-16-15(2)12-20(24-21(14)16)27-13-19(25)23-17-8-3-4-9-18(17)26-11-10-22/h3-9,12H,11,13H2,1-2H3,(H,23,25)