2-(3-cyano-6-methoxy-quinolin-2-yl)sulfanyl-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-(3-cyano-6-methoxy-quinolin-2-yl)sulfanyl-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(3-cyano-6-methoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[(3-cyano-6-methoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-(3-cyano-6-methoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(3-cyano-6-methoxy-2-quinolyl)thio]acetamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)OC)C=C2C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)OC)C=C2C#N

InChI

InChI=1S/C21H17N3O3S/c1-13(25)14-4-3-5-17(9-14)23-20(26)12-28-21-16(11-22)8-15-10-18(27-2)6-7-19(15)24-21/h3-10H,12H2,1-2H3,(H,23,26)