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

Systemtic Name: 2-(furan-2-yl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3,4-oxadiazole Openeye Name: 2-(2-furyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3,4-oxadiazole CAS Name: 2-(2-furanyl)-5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(furan-2-yl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3,4-oxadiazole Traditional Name: 2-(2-furyl)-5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1,3,4-oxadiazole Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=NN=C(O2)C3=CC=CO3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=NN=C(O2)C3=CC=CO3)[O-]

InChI

InChI=1S/C12H9N3O3S/c16-15-6-2-1-5-11(15)19-8-10-13-14-12(18-10)9-4-3-7-17-9/h1-7H,8H2