2-[bis(fluoranyl)methylsulfanyl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-(difluoromethylsulfanyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]pyridine-3-carboxamide CAS Name: 2-(difluoromethylthio)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-(difluoromethylsulfanyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(difluoromethylthio)-N-(2-hydroxy-5-nitro-benzyl)nicotinamide Formula: C14H11F2N3O4S MolecularWeight: 355.316646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC(F)F)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(N=C1)SC(F)F)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H11F2N3O4S/c15-14(16)24-13-10(2-1-5-17-13)12(21)18-7-8-6-9(19(22)23)3-4-11(8)20/h1-6,14,20H,7H2,(H,18,21)