2-(3-bromophenyl)sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-(3-bromophenyl)sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-(3-bromophenyl)sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[(3-bromophenyl)thio]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-(3-bromophenyl)sulfanyl-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[(3-bromophenyl)thio]-N-(cyanomethyl)-4-methyl-valeramide Formula: C14H17BrN2OS MolecularWeight: 341.26658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC(=CC=C1)Br

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC(=CC=C1)Br

InChI

InChI=1S/C14H17BrN2OS/c1-10(2)8-13(14(18)17-7-6-16)19-12-5-3-4-11(15)9-12/h3-5,9-10,13H,7-8H2,1-2H3,(H,17,18)