N-[3-fluoranyl-5-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[3-fluoranyl-5-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-pyridylmethylthio)nicotinamide Formula: C19H13F4N3OS MolecularWeight: 407.384633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)F

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)F

InChI

InChI=1S/C19H13F4N3OS/c20-14-8-13(19(21,22)23)9-15(10-14)26-17(27)16-2-1-5-25-18(16)28-11-12-3-6-24-7-4-12/h1-10H,11H2,(H,26,27)