3-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]methyl]benzoic acid IUPAC Name: 3-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[(1-o-phenetyltetrazol-5-yl)thio]methyl]benzoic acid Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H16N4O3S/c1-2-24-15-9-4-3-8-14(15)21-17(18-19-20-21)25-11-12-6-5-7-13(10-12)16(22)23/h3-10H,2,11H2,1H3,(H,22,23)