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

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-pyridylmethylthio)nicotinamide Formula: C19H13BrF3N3OS MolecularWeight: 468.29023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrF3N3OS/c20-16-4-3-13(10-15(16)19(21,22)23)26-17(27)14-2-1-7-25-18(14)28-11-12-5-8-24-9-6-12/h1-10H,11H2,(H,26,27)