N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(3-pyridylmethyl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(3-pyridinylmethyl)-3-pyrazolyl]-2-[[3-(trifluoromethyl)phenyl]thio]-3-pyridinecarboxamide IUPAC Name: N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxamide Traditional Name: N-[2-(3-pyridylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]thio]nicotinamide Formula: C22H16F3N5OS MolecularWeight: 455.45555

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CN=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CN=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H16F3N5OS/c23-22(24,25)16-5-1-6-17(12-16)32-21-18(7-3-10-27-21)20(31)29-19-8-11-28-30(19)14-15-4-2-9-26-13-15/h1-13H,14H2,(H,29,31)