2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)ethanamide

Systemtic Name: 2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)ethanamide Openeye Name: 2-[(3-cyano-7,8-dimethyl-2-quinolyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide CAS Name: 2-[(3-cyano-7,8-dimethyl-2-quinolinyl)thio]-N-(2,5-dimethylphenyl)acetamide IUPAC Name: 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-[(3-cyano-7,8-dimethyl-2-quinolyl)thio]-N-(2,5-dimethylphenyl)acetamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS/c1-13-5-6-15(3)19(9-13)24-20(26)12-27-22-18(11-23)10-17-8-7-14(2)16(4)21(17)25-22/h5-10H,12H2,1-4H3,(H,24,26)