N-(3-chloranyl-2-methyl-phenyl)-2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(3-cyano-6-ethoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(3-cyano-6-ethoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(3-cyano-6-ethoxy-2-quinolyl)thio]acetamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C21H18ClN3O2S/c1-3-27-16-7-8-19-14(10-16)9-15(11-23)21(25-19)28-12-20(26)24-18-6-4-5-17(22)13(18)2/h4-10H,3,12H2,1-2H3,(H,24,26)