2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C26H21N3O2S/c1-18-24(19(2)31-29-18)17-32-25-12-4-3-11-23(25)26(30)28-22-10-7-8-20(16-22)13-14-21-9-5-6-15-27-21/h3-12,15-16H,17H2,1-2H3,(H,28,30)