2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]acetamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)C

InChI

InChI=1S/C21H18N4OS/c1-15-12-16(2)24-21(23-15)27-14-20(26)25-19-8-5-6-17(13-19)9-10-18-7-3-4-11-22-18/h3-8,11-13H,14H2,1-2H3,(H,25,26)