2-[2-(5-cyano-6-oxidanylidene-1-propyl-pyridin-3-yl)carbonyl-4-fluoranyl-phenoxy]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[2-(5-cyano-6-oxidanylidene-1-propyl-pyridin-3-yl)carbonyl-4-fluoranyl-phenoxy]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[2-(5-cyano-6-oxo-1-propyl-pyridine-3-carbonyl)-4-fluoro-phenoxy]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[2-[(5-cyano-6-oxo-1-propyl-3-pyridinyl)-oxomethyl]-4-fluorophenoxy]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[2-(5-cyano-6-oxo-1-propylpyridine-3-carbonyl)-4-fluorophenoxy]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[2-(5-cyano-6-keto-1-propyl-nicotinoyl)-4-fluoro-phenoxy]-N-[2-(methylthio)phenyl]acetamide Formula: C25H22FN3O4S MolecularWeight: 479.523283

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)F)OCC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)F)OCC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C25H22FN3O4S/c1-3-10-29-14-17(11-16(13-27)25(29)32)24(31)19-12-18(26)8-9-21(19)33-15-23(30)28-20-6-4-5-7-22(20)34-2/h4-9,11-12,14H,3,10,15H2,1-2H3,(H,28,30)