2-propan-2-ylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-propan-2-ylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-isopropylsulfanyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyridine-3-carboxamide CAS Name: 2-(propan-2-ylthio)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-propan-2-ylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(isopropylthio)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]nicotinamide Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

InChI

InChI=1S/C22H19N3OS/c1-16(2)27-22-20(10-6-14-24-22)21(26)25-19-9-5-7-17(15-19)11-12-18-8-3-4-13-23-18/h3-10,13-16H,1-2H3,(H,25,26)