2-[(5-bromanylpyridin-2-yl)-phenyl-methyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[(5-bromanylpyridin-2-yl)-phenyl-methyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[(5-bromo-2-pyridyl)-phenyl-methyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[(5-bromo-2-pyridinyl)-phenylmethyl]thio]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[(5-bromopyridin-2-yl)-phenylmethyl]sulfanyl-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[(5-bromo-2-pyridyl)-phenyl-methyl]thio]-N-(cyanomethyl)-4-methyl-valeramide Formula: C20H22BrN3OS MolecularWeight: 432.37718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3OS/c1-14(2)12-18(20(25)23-11-10-22)26-19(15-6-4-3-5-7-15)17-9-8-16(21)13-24-17/h3-9,13-14,18-19H,11-12H2,1-2H3,(H,23,25)