2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1H-benzimidazole IUPAC Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1H-benzimidazole Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C13H11N3OS/c17-16-8-4-3-7-13(16)18-9-12-14-10-5-1-2-6-11(10)15-12/h1-8H,9H2,(H,14,15)