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

Systemtic Name: 2-(3-cyano-6-methyl-quinolin-2-yl)sulfanyl-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(3-cyano-6-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[(3-cyano-6-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(3-cyano-6-methyl-2-quinolyl)thio]acetamide Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H17N3O2S/c1-13-6-7-19-16(8-13)9-17(11-22)21(24-19)27-12-20(26)23-18-5-3-4-15(10-18)14(2)25/h3-10H,12H2,1-2H3,(H,23,26)