2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]acetamide Formula: C22H17BrN2OS MolecularWeight: 437.35218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

InChI

InChI=1S/C22H17BrN2OS/c1-16-13-18(23)9-11-21(16)27-15-22(26)25-20-7-4-5-17(14-20)8-10-19-6-2-3-12-24-19/h2-7,9,11-14H,15H2,1H3,(H,25,26)