3-(4-methoxyphenyl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,2-oxazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 3-(4-methoxyphenyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]isoxazole CAS Name: 3-(4-methoxyphenyl)-5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]isoxazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 3-(4-methoxyphenyl)-5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]isoxazole Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H14N2O3S/c1-20-13-7-5-12(6-8-13)15-10-14(21-17-15)11-22-16-4-2-3-9-18(16)19/h2-10H,11H2,1H3