2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]nicotinamide Formula: C24H18N4O2S MolecularWeight: 426.49032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C24H18N4O2S/c1-17-14-21(28-30-17)16-31-24-22(9-5-13-26-24)23(29)27-20-8-4-6-18(15-20)10-11-19-7-2-3-12-25-19/h2-9,12-15H,16H2,1H3,(H,27,29)