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

Systemtic Name: 2-[[1-(3-cyanophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: 2-[1-(3-cyanophenyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(3-cyanophenyl)-5-tetrazolyl]thio]acetate IUPAC Name: 2-[1-(3-cyanophenyl)tetrazol-5-yl]sulfanylacetate Traditional Name: 2-[[1-(3-cyanophenyl)tetrazol-5-yl]thio]acetate Formula: C10H6N5O2S- MolecularWeight: 260.25194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7N5O2S/c11-5-7-2-1-3-8(4-7)15-10(12-13-14-15)18-6-9(16)17/h1-4H,6H2,(H,16,17)/p-1