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

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanyl-N-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]-N-(3-pyridylmethyl)nicotinamide Formula: C20H16BrFN4O2S MolecularWeight: 475.334043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrFN4O2S/c21-14-5-6-17(16(22)9-14)26-18(27)12-29-20-15(4-2-8-24-20)19(28)25-11-13-3-1-7-23-10-13/h1-10H,11-12H2,(H,25,28)(H,26,27)