2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: 2-[(2-acetamido-4-pyridinyl)methylthio]-N-[4-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(2-acetamido-4-pyridyl)methylthio]-N-[4-(trifluoromethyl)phenyl]nicotinamide Formula: C21H17F3N4O2S MolecularWeight: 446.44549

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H17F3N4O2S/c1-13(29)27-18-11-14(8-10-25-18)12-31-20-17(3-2-9-26-20)19(30)28-16-6-4-15(5-7-16)21(22,23)24/h2-11H,12H2,1H3,(H,28,30)(H,25,27,29)