2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[(3-cyano-5,7-dimethyl-2-quinolyl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(3-cyano-5,7-dimethyl-2-quinolyl)thio]-N-phenethyl-acetamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)NCCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)NCCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C22H21N3OS/c1-15-10-16(2)19-12-18(13-23)22(25-20(19)11-15)27-14-21(26)24-9-8-17-6-4-3-5-7-17/h3-7,10-12H,8-9,14H2,1-2H3,(H,24,26)