N-(cyanomethyl)-4-methyl-2-(4-quinolin-5-ylphenyl)sulfanyl-pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-(4-quinolin-5-ylphenyl)sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-(5-quinolyl)phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(5-quinolinyl)phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-(4-quinolin-5-ylphenyl)sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(5-quinolyl)phenyl]thio]valeramide Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=C3C=CC=NC3=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=C3C=CC=NC3=CC=C2

InChI

InChI=1S/C23H23N3OS/c1-16(2)15-22(23(27)26-14-12-24)28-18-10-8-17(9-11-18)19-5-3-7-21-20(19)6-4-13-25-21/h3-11,13,16,22H,14-15H2,1-2H3,(H,26,27)