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

Systemtic Name: 5-(4-methylphenyl)-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-5-(p-tolyl)-1,2,4-oxadiazole CAS Name: 5-(4-methylphenyl)-3-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 5-(4-methylphenyl)-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-5-(p-tolyl)-1,2,4-oxadiazole Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H13N3O2S/c1-11-5-7-12(8-6-11)15-16-13(17-20-15)10-21-14-4-2-3-9-18(14)19/h2-9H,10H2,1H3