2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]acetic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)O

InChI

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