N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C21H21N3OS2 MolecularWeight: 395.54094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=C(C(=C(S3)C)C)C#N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=C(C(=C(S3)C)C)C#N)C)C

InChI

InChI=1S/C21H21N3OS2/c1-11-6-13(3)20-16(7-11)12(2)8-19(24-20)26-10-18(25)23-21-17(9-22)14(4)15(5)27-21/h6-8H,10H2,1-5H3,(H,23,25)