2-[bis(fluoranyl)methylsulfanyl]-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide Openeye Name: 2-(difluoromethylsulfanyl)-N-[1-(4-pyridyl)ethyl]pyridine-3-carboxamide CAS Name: 2-(difluoromethylthio)-N-(1-pyridin-4-ylethyl)-3-pyridinecarboxamide IUPAC Name: 2-(difluoromethylsulfanyl)-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide Traditional Name: 2-(difluoromethylthio)-N-[1-(4-pyridyl)ethyl]nicotinamide Formula: C14H13F2N3OS MolecularWeight: 309.334326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC(=O)C2=C(N=CC=C2)SC(F)F

Isomeric SMILES

CC(C1=CC=NC=C1)NC(=O)C2=C(N=CC=C2)SC(F)F

InChI

InChI=1S/C14H13F2N3OS/c1-9(10-4-7-17-8-5-10)19-12(20)11-3-2-6-18-13(11)21-14(15)16/h2-9,14H,1H3,(H,19,20)