3-(1,4,5-trimethylimidazol-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(1,4,5-trimethylimidazol-2-yl)sulfanylpropanoic acid Openeye Name: 3-(1,4,5-trimethylimidazol-2-yl)sulfanylpropanoic acid CAS Name: 3-[(1,4,5-trimethyl-2-imidazolyl)thio]propanoic acid IUPAC Name: 3-(1,4,5-trimethylimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(1,4,5-trimethylimidazol-2-yl)thio]propionic acid Formula: C9H14N2O2S MolecularWeight: 214.28466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCCC(=O)O)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCCC(=O)O)C)C

InChI

InChI=1S/C9H14N2O2S/c1-6-7(2)11(3)9(10-6)14-5-4-8(12)13/h4-5H2,1-3H3,(H,12,13)