N-butan-2-yl-2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-butan-2-yl-2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[(3-cyano-7-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-butan-2-yl-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-cyano-7-methyl-2-quinolyl)thio]-N-sec-butyl-acetamide Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C)C=C1C#N

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C)C=C1C#N

InChI

InChI=1S/C17H19N3OS/c1-4-12(3)19-16(21)10-22-17-14(9-18)8-13-6-5-11(2)7-15(13)20-17/h5-8,12H,4,10H2,1-3H3,(H,19,21)