2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)ethanamide

Systemtic Name: 2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)ethanamide Openeye Name: 2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide CAS Name: 2-[(3-cyano-7-methyl-2-quinolinyl)thio]-N-(2,5-dimethylphenyl)acetamide IUPAC Name: 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-[(3-cyano-7-methyl-2-quinolyl)thio]-N-(2,5-dimethylphenyl)acetamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=C(C=CC(=C3)C)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=C(C=CC(=C3)C)C)C#N

InChI

InChI=1S/C21H19N3OS/c1-13-4-6-15(3)18(8-13)23-20(25)12-26-21-17(11-22)10-16-7-5-14(2)9-19(16)24-21/h4-10H,12H2,1-3H3,(H,23,25)