N-(6-pyrazol-1-ylpyridin-3-yl)-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(6-pyrazol-1-ylpyridin-3-yl)-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(6-pyrazol-1-yl-3-pyridyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[6-(1-pyrazolyl)-3-pyridinyl]-2-(2,2,2-trifluoroethylthio)-3-pyridinecarboxamide IUPAC Name: N-(6-pyrazol-1-ylpyridin-3-yl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(6-pyrazol-1-yl-3-pyridyl)-2-(2,2,2-trifluoroethylthio)nicotinamide Formula: C16H12F3N5OS MolecularWeight: 379.35959

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(F)(F)F)C(=O)NC2=CN=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1=CC(=C(N=C1)SCC(F)(F)F)C(=O)NC2=CN=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H12F3N5OS/c17-16(18,19)10-26-15-12(3-1-6-20-15)14(25)23-11-4-5-13(21-9-11)24-8-2-7-22-24/h1-9H,10H2,(H,23,25)