N-tert-butyl-2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-tert-butyl-2-[(3-cyano-6-ethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-tert-butyl-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-tert-butyl-2-[(3-cyano-6-ethyl-2-quinolyl)thio]acetamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC(C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C18H21N3OS/c1-5-12-6-7-15-13(8-12)9-14(10-19)17(20-15)23-11-16(22)21-18(2,3)4/h6-9H,5,11H2,1-4H3,(H,21,22)