2-(1,4,5-trimethylimidazol-2-yl)sulfanylethanoate

Systemtic Name: 2-(1,4,5-trimethylimidazol-2-yl)sulfanylethanoate Openeye Name: 2-(1,4,5-trimethylimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1,4,5-trimethyl-2-imidazolyl)thio]acetate IUPAC Name: 2-(1,4,5-trimethylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1,4,5-trimethylimidazol-2-yl)thio]acetate Formula: C8H11N2O2S- MolecularWeight: 199.25014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)[O-])C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)[O-])C)C

InChI

InChI=1S/C8H12N2O2S/c1-5-6(2)10(3)8(9-5)13-4-7(11)12/h4H2,1-3H3,(H,11,12)/p-1