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

Systemtic Name: 2-[[1-(4-ethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-ethylphenyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-ethylphenyl)tetrazol-5-yl]thio]acetic acid Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)O

InChI

InChI=1S/C11H12N4O2S/c1-2-8-3-5-9(6-4-8)15-11(12-13-14-15)18-7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)