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

Systemtic Name: 2-[[1-(4-propylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(4-propylphenyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-propylphenyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(4-propylphenyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-propylphenyl)tetrazol-5-yl]thio]acetic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)O

InChI

InChI=1S/C12H14N4O2S/c1-2-3-9-4-6-10(7-5-9)16-12(13-14-15-16)19-8-11(17)18/h4-7H,2-3,8H2,1H3,(H,17,18)