2-[(4-bromophenyl)-phenyl-methyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[(4-bromophenyl)-phenyl-methyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[(4-bromophenyl)-phenyl-methyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[(4-bromophenyl)-phenylmethyl]thio]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[(4-bromophenyl)-phenylmethyl]sulfanyl-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[(4-bromophenyl)-phenyl-methyl]thio]-N-(cyanomethyl)-4-methyl-valeramide Formula: C21H23BrN2OS MolecularWeight: 431.38912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC(C1=CC=CC=C1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC(C1=CC=CC=C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H23BrN2OS/c1-15(2)14-19(21(25)24-13-12-23)26-20(16-6-4-3-5-7-16)17-8-10-18(22)11-9-17/h3-11,15,19-20H,13-14H2,1-2H3,(H,24,25)