2-(4-methylsulfanylpyridin-1-ium-1-yl)-1,3-benzoxazole

Systemtic Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)-1,3-benzoxazole Openeye Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)-1,3-benzoxazole CAS Name: 2-[4-(methylthio)-1-pyridin-1-iumyl]-1,3-benzoxazole IUPAC Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)-1,3-benzoxazole Traditional Name: 2-[4-(methylthio)pyridin-1-ium-1-yl]-1,3-benzoxazole Formula: C13H11N2OS+ MolecularWeight: 243.30424

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=[N+](C=C1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CSC1=CC=[N+](C=C1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C13H11N2OS/c1-17-10-6-8-15(9-7-10)13-14-11-4-2-3-5-12(11)16-13/h2-9H,1H3/q+1