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

Systemtic Name: 5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C12H9N3O2S2 MolecularWeight: 291.34876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=NC(=NO2)C3=CC=CS3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=NC(=NO2)C3=CC=CS3)[O-]

InChI

InChI=1S/C12H9N3O2S2/c16-15-6-2-1-5-11(15)19-8-10-13-12(14-17-10)9-4-3-7-18-9/h1-7H,8H2