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

Systemtic Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 5-(3,5-dimethylisoxazol-4-yl)-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 5-(3,5-dimethyl-4-isoxazolyl)-3-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 5-(3,5-dimethylisoxazol-4-yl)-3-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1,2,4-oxadiazole Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C2=NC(=NO2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)C2=NC(=NO2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C13H12N4O3S/c1-8-12(9(2)19-15-8)13-14-10(16-20-13)7-21-11-5-3-4-6-17(11)18/h3-6H,7H2,1-2H3