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

Systemtic Name: 4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-2-(2-thienyl)oxazole CAS Name: 4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-2-(2-thienyl)oxazole Formula: C13H10N2O2S2 MolecularWeight: 290.3607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=COC(=N2)C3=CC=CS3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=COC(=N2)C3=CC=CS3)[O-]

InChI

InChI=1S/C13H10N2O2S2/c16-15-6-2-1-5-12(15)19-9-10-8-17-13(14-10)11-4-3-7-18-11/h1-8H,9H2