2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(3-cyano-6-ethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[(3-cyano-6-ethyl-2-quinolyl)thio]acetamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H19N3O2S/c1-3-15-4-9-20-17(10-15)11-18(12-23)22(25-20)28-13-21(27)24-19-7-5-16(6-8-19)14(2)26/h4-11H,3,13H2,1-2H3,(H,24,27)