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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=N2)SCC(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=N2)SCC(=O)O)C

InChI

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