2-[1-(2,6-dimethylphenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(2,6-dimethylphenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(2,6-dimethylphenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(2,6-dimethylphenyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(2,6-dimethylphenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2,6-dimethylphenyl)imidazol-2-yl]thio]acetate Formula: C13H13N2O2S- MolecularWeight: 261.31952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C=CN=C2SCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C=CN=C2SCC(=O)[O-]

InChI

InChI=1S/C13H14N2O2S/c1-9-4-3-5-10(2)12(9)15-7-6-14-13(15)18-8-11(16)17/h3-7H,8H2,1-2H3,(H,16,17)/p-1