2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3-cyano-6,7-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: 2-[(3-cyano-6,7-dimethyl-2-quinolinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(3-cyano-6,7-dimethyl-2-quinolyl)thio]acetamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C21H19N3OS/c1-14-8-17-10-18(11-22)21(24-19(17)9-15(14)2)26-13-20(25)23-12-16-6-4-3-5-7-16/h3-10H,12-13H2,1-2H3,(H,23,25)