4-(1-methylimidazol-2-yl)sulfanylbutanoate

Systemtic Name: 4-(1-methylimidazol-2-yl)sulfanylbutanoate Openeye Name: 4-(1-methylimidazol-2-yl)sulfanylbutanoate CAS Name: 4-[(1-methyl-2-imidazolyl)thio]butanoate IUPAC Name: 4-(1-methylimidazol-2-yl)sulfanylbutanoate Traditional Name: 4-[(1-methylimidazol-2-yl)thio]butyrate Formula: C8H11N2O2S- MolecularWeight: 199.25014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCCC(=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCCCC(=O)[O-]

InChI

InChI=1S/C8H12N2O2S/c1-10-5-4-9-8(10)13-6-2-3-7(11)12/h4-5H,2-3,6H2,1H3,(H,11,12)/p-1