2-(3-cyano-6-methyl-quinolin-2-yl)sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-(3-cyano-6-methyl-quinolin-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[(3-cyano-6-methyl-2-quinolyl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(3-cyano-6-methyl-2-quinolinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(3-cyano-6-methyl-2-quinolyl)thio]-N-phenethyl-acetamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H19N3OS/c1-15-7-8-19-17(11-15)12-18(13-22)21(24-19)26-14-20(25)23-10-9-16-5-3-2-4-6-16/h2-8,11-12H,9-10,14H2,1H3,(H,23,25)