2-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N-(4-methoxyphenyl)acetamide Formula: C22H15BrF3N3O2S MolecularWeight: 522.33761

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C(F)(F)F)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C(F)(F)F)C#N

InChI

InChI=1S/C22H15BrF3N3O2S/c1-31-16-8-6-15(7-9-16)28-20(30)12-32-21-17(11-27)18(22(24,25)26)10-19(29-21)13-2-4-14(23)5-3-13/h2-10H,12H2,1H3,(H,28,30)