N-tert-butyl-2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[(3-cyano-7,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-tert-butyl-2-[(3-cyano-7,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-tert-butyl-2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-tert-butyl-2-[(3-cyano-7,8-dimethyl-2-quinolyl)thio]acetamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)NC(C)(C)C)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)NC(C)(C)C)C#N)C

InChI

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