2-[1-(2,3-dihydro-1H-inden-5-yl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(2,3-dihydro-1H-inden-5-yl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-(1-indan-5-ylimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-(2,3-dihydro-1H-inden-5-yl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(2,3-dihydro-1H-inden-5-yl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[(1-indan-5-ylimidazol-2-yl)thio]acetate Formula: C14H13N2O2S- MolecularWeight: 273.33022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)N3C=CN=C3SCC(=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)N3C=CN=C3SCC(=O)[O-]

InChI

InChI=1S/C14H14N2O2S/c17-13(18)9-19-14-15-6-7-16(14)12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9H2,(H,17,18)/p-1