2-(7-chloranyl-3-cyano-6-methyl-quinolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-(7-chloranyl-3-cyano-6-methyl-quinolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[(7-chloro-3-cyano-6-methyl-2-quinolyl)sulfanyl]-N-(p-tolylmethyl)acetamide CAS Name: 2-[(7-chloro-3-cyano-6-methyl-2-quinolinyl)thio]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-(7-chloro-3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[(7-chloro-3-cyano-6-methyl-2-quinolyl)thio]-N-(4-methylbenzyl)acetamide Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC(=C(C=C3C=C2C#N)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC(=C(C=C3C=C2C#N)C)Cl

InChI

InChI=1S/C21H18ClN3OS/c1-13-3-5-15(6-4-13)11-24-20(26)12-27-21-17(10-23)8-16-7-14(2)18(22)9-19(16)25-21/h3-9H,11-12H2,1-2H3,(H,24,26)