2-[1-(3-ethylphenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3-ethylphenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(3-ethylphenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-ethylphenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-ethylphenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3-ethylphenyl)imidazol-2-yl]thio]acetic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)N2C=CN=C2SCC(=O)O

InChI

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