2-[(1-quinolin-8-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(1-quinolin-8-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate Openeye Name: 2-[1-(8-quinolyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(8-quinolinyl)-5-tetrazolyl]thio]acetate IUPAC Name: 2-(1-quinolin-8-yltetrazol-5-yl)sulfanylacetate Traditional Name: 2-[[1-(8-quinolyl)tetrazol-5-yl]thio]acetate Formula: C12H8N5O2S- MolecularWeight: 286.28922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N3C(=NN=N3)SCC(=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)N3C(=NN=N3)SCC(=O)[O-])N=CC=C2

InChI

InChI=1S/C12H9N5O2S/c18-10(19)7-20-12-14-15-16-17(12)9-5-1-3-8-4-2-6-13-11(8)9/h1-6H,7H2,(H,18,19)/p-1