N-(cyanomethyl)-4-methyl-2-(4-quinolin-6-ylphenyl)sulfanyl-pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-(4-quinolin-6-ylphenyl)sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-(6-quinolyl)phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-quinolinyl)phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-(4-quinolin-6-ylphenyl)sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-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=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC3=C(C=C2)N=CC=C3

InChI

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