4-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]-N-phenyl-piperazine-1-carboxamide Formula: C21H20F3N5O2S MolecularWeight: 463.47601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H20F3N5O2S/c1-14-11-17(21(22,23)24)16(12-25)19(26-14)32-13-18(30)28-7-9-29(10-8-28)20(31)27-15-5-3-2-4-6-15/h2-6,11H,7-10,13H2,1H3,(H,27,31)