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

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanyl-N-(p-tolylmethyl)pyridine-3-carboxamide CAS Name: 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]-N-[(4-methylphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]-N-(4-methylbenzyl)nicotinamide Formula: C22H19BrFN3O2S MolecularWeight: 488.372563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H19BrFN3O2S/c1-14-4-6-15(7-5-14)12-26-21(29)17-3-2-10-25-22(17)30-13-20(28)27-19-9-8-16(23)11-18(19)24/h2-11H,12-13H2,1H3,(H,26,29)(H,27,28)