2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]-N-(4-piperidinophenyl)acetamide Formula: C21H21F3N4OS MolecularWeight: 434.47785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C21H21F3N4OS/c1-14-11-18(21(22,23)24)17(12-25)20(26-14)30-13-19(29)27-15-5-7-16(8-6-15)28-9-3-2-4-10-28/h5-8,11H,2-4,9-10,13H2,1H3,(H,27,29)