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

Systemtic Name: 2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-N-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]-N-(3-pyridylmethyl)nicotinamide Formula: C21H17F3N4O2S MolecularWeight: 446.44549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)NCC3=CN=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)NCC3=CN=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H17F3N4O2S/c22-21(23,24)15-5-1-6-16(10-15)28-18(29)13-31-20-17(7-3-9-26-20)19(30)27-12-14-4-2-8-25-11-14/h1-11H,12-13H2,(H,27,30)(H,28,29)