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

Systemtic Name: 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-butylphenyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]thio]acetic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)O

InChI

InChI=1S/C13H16N4O2S/c1-2-3-4-10-5-7-11(8-6-10)17-13(14-15-16-17)20-9-12(18)19/h5-8H,2-4,9H2,1H3,(H,18,19)