3-[3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-(1-oxidopyridin-1-ium-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(1-oxido-2-pyridin-1-iumyl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-(1-oxidopyridin-1-ium-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(1-oxidopyridin-1-ium-2-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H15N3O2S/c19-15-16-12-6-1-2-7-13(12)17(15)9-5-11-21-14-8-3-4-10-18(14)20/h1-4,6-8,10H,5,9,11H2,(H,16,19)