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

Systemtic Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)-1,3-benzoxazole chloride Openeye Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)-1,3-benzoxazole chloride CAS Name: 2-[4-(methylthio)-1-pyridin-1-iumyl]-1,3-benzoxazole chloride IUPAC Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)-1,3-benzoxazole chloride Traditional Name: 2-[4-(methylthio)pyridin-1-ium-1-yl]-1,3-benzoxazole chloride Formula: C13H11ClN2OS MolecularWeight: 278.75724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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