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

Systemtic Name: 3-(4-chlorophenyl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-(4-chlorophenyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-(4-chlorophenyl)-5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-chlorophenyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-(4-chlorophenyl)-5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1,2,4-oxadiazole Formula: C14H10ClN3O2S MolecularWeight: 319.7661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClN3O2S/c15-11-6-4-10(5-7-11)14-16-12(20-17-14)9-21-13-3-1-2-8-18(13)19/h1-8H,9H2