2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanylacetate CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]acetate IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanylacetate Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]acetate Formula: C9H7N4O2S- MolecularWeight: 235.24248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)[O-]

InChI

InChI=1S/C9H8N4O2S/c14-8(15)6-16-9-10-11-12-13(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)/p-1