2-[(1-phenyl-1,2,3,4-tetrazol-1-ium-1-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-1-ium-1-yl)sulfanyl]ethanoate Openeye Name: 2-(1-phenyltetrazol-1-ium-1-yl)sulfanylacetate CAS Name: 2-[(1-phenyl-1-tetrazol-1-iumyl)thio]acetate IUPAC Name: 2-(1-phenyltetrazol-1-ium-1-yl)sulfanylacetate Traditional Name: 2-[(1-phenyltetrazol-1-ium-1-yl)thio]acetate Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2(C=NN=N2)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2(C=NN=N2)SCC(=O)[O-]

InChI

InChI=1S/C9H8N4O2S/c14-9(15)6-16-13(7-10-11-12-13)8-4-2-1-3-5-8/h1-5,7H,6H2