2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-pentyl-pyridine-3-carboxamide

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-pentyl-pyridine-3-carboxamide Openeye Name: 2-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanyl-N-pentyl-pyridine-3-carboxamide CAS Name: 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]-N-pentyl-3-pyridinecarboxamide IUPAC Name: 2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide Traditional Name: N-amyl-2-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]nicotinamide Formula: C19H21BrFN3O2S MolecularWeight: 454.356343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=C(N=CC=C1)SCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCCCCNC(=O)C1=C(N=CC=C1)SCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C19H21BrFN3O2S/c1-2-3-4-9-22-18(26)14-6-5-10-23-19(14)27-12-17(25)24-16-8-7-13(20)11-15(16)21/h5-8,10-11H,2-4,9,12H2,1H3,(H,22,26)(H,24,25)