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

Systemtic Name: 2-[[1-(3-cyanophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(3-cyanophenyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-cyanophenyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-cyanophenyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3-cyanophenyl)tetrazol-5-yl]thio]acetic acid Formula: C10H7N5O2S MolecularWeight: 261.25988

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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)