3-(1-methylimidazol-2-yl)sulfanylpropanoate

Systemtic Name: 3-(1-methylimidazol-2-yl)sulfanylpropanoate Openeye Name: 3-(1-methylimidazol-2-yl)sulfanylpropanoate CAS Name: 3-[(1-methyl-2-imidazolyl)thio]propanoate IUPAC Name: 3-(1-methylimidazol-2-yl)sulfanylpropanoate Traditional Name: 3-[(1-methylimidazol-2-yl)thio]propionate Formula: C7H9N2O2S- MolecularWeight: 185.22356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCC(=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCCC(=O)[O-]

InChI

InChI=1S/C7H10N2O2S/c1-9-4-3-8-7(9)12-5-2-6(10)11/h3-4H,2,5H2,1H3,(H,10,11)/p-1