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

Systemtic Name: 5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 5-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]-3-(3-thienyl)-1,2,4-oxadiazole CAS Name: 5-[(1-oxido-2-pyridin-1-iumyl)sulfonylmethyl]-3-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 5-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]-3-(3-thienyl)-1,2,4-oxadiazole Formula: C12H9N3O4S2 MolecularWeight: 323.34756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)S(=O)(=O)CC2=NC(=NO2)C3=CSC=C3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)S(=O)(=O)CC2=NC(=NO2)C3=CSC=C3)[O-]

InChI

InChI=1S/C12H9N3O4S2/c16-15-5-2-1-3-11(15)21(17,18)8-10-13-12(14-19-10)9-4-6-20-7-9/h1-7H,8H2