2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]-N-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]-N-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide Openeye Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide CAS Name: 2-[(1-oxido-4-pyridin-1-iumyl)methylthio]-N-[4-(trifluoromethoxy)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylthio]-N-[4-(trifluoromethoxy)phenyl]nicotinamide Formula: C19H14F3N3O3S MolecularWeight: 421.39297

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=[N+](C=C2)[O-])C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=[N+](C=C2)[O-])C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H14F3N3O3S/c20-19(21,22)28-15-5-3-14(4-6-15)24-17(26)16-2-1-9-23-18(16)29-12-13-7-10-25(27)11-8-13/h1-11H,12H2,(H,24,26)