N-(4-bromanyl-2-fluoranyl-phenyl)-3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]propionamide Formula: C22H17BrFN3O2S MolecularWeight: 486.356683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H17BrFN3O2S/c1-29-17-6-2-14(3-7-17)19-8-4-15(13-25)22(27-19)30-11-10-21(28)26-20-9-5-16(23)12-18(20)24/h2-9,12H,10-11H2,1H3,(H,26,28)