2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N,N-dimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N,N-dimethyl-pyridine-3-carboxamide Openeye Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N,N-dimethyl-pyridine-3-carboxamide CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-N,N-dimethyl-3-pyridinecarboxamide IUPAC Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N,N-dimethylpyridine-3-carboxamide Traditional Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-N,N-dimethyl-nicotinamide Formula: C17H17FN2O3S MolecularWeight: 348.391883

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(N=CC=C1)SCC2=C3C(=CC(=C2)F)COCO3

Isomeric SMILES

CN(C)C(=O)C1=C(N=CC=C1)SCC2=C3C(=CC(=C2)F)COCO3

InChI

InChI=1S/C17H17FN2O3S/c1-20(2)17(21)14-4-3-5-19-16(14)24-9-12-7-13(18)6-11-8-22-10-23-15(11)12/h3-7H,8-10H2,1-2H3