2-(2,5-dimethylfuran-3-yl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

Systemtic Name: 2-(2,5-dimethylfuran-3-yl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3,4-oxadiazole Openeye Name: 2-(2,5-dimethyl-3-furyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3,4-oxadiazole CAS Name: 2-(2,5-dimethyl-3-furanyl)-5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(2,5-dimethylfuran-3-yl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3,4-oxadiazole Traditional Name: 2-(2,5-dimethyl-3-furyl)-5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1,3,4-oxadiazole Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NN=C(O2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NN=C(O2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C14H13N3O3S/c1-9-7-11(10(2)19-9)14-16-15-12(20-14)8-21-13-5-3-4-6-17(13)18/h3-7H,8H2,1-2H3