N-[3-(2-pyridin-2-ylethynyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-4-(trifluoromethylsulfanyl)benzamide CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-4-(trifluoromethylthio)benzamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-4-(trifluoromethylthio)benzamide Formula: C21H13F3N2OS MolecularWeight: 398.40093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C21H13F3N2OS/c22-21(23,24)28-19-11-8-16(9-12-19)20(27)26-18-6-3-4-15(14-18)7-10-17-5-1-2-13-25-17/h1-6,8-9,11-14H,(H,26,27)