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

Systemtic Name: N-[3-chloranyl-4-(trifluoromethyloxy)phenyl]-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-[(1-oxido-4-pyridin-1-iumyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-[(1-oxidopyridin-1-ium-4-yl)methylthio]nicotinamide Formula: C19H13ClF3N3O3S MolecularWeight: 455.83803

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClF3N3O3S/c20-15-10-13(3-4-16(15)29-19(21,22)23)25-17(27)14-2-1-7-24-18(14)30-11-12-5-8-26(28)9-6-12/h1-10H,11H2,(H,25,27)