5-(1-methylimidazol-2-yl)sulfanylpentanoic acid

Systemtic Name: 5-(1-methylimidazol-2-yl)sulfanylpentanoic acid Openeye Name: 5-(1-methylimidazol-2-yl)sulfanylpentanoic acid CAS Name: 5-[(1-methyl-2-imidazolyl)thio]pentanoic acid IUPAC Name: 5-(1-methylimidazol-2-yl)sulfanylpentanoic acid Traditional Name: 5-[(1-methylimidazol-2-yl)thio]valeric acid Formula: C9H14N2O2S MolecularWeight: 214.28466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCCCC(=O)O

Isomeric SMILES

CN1C=CN=C1SCCCCC(=O)O

InChI

InChI=1S/C9H14N2O2S/c1-11-6-5-10-9(11)14-7-3-2-4-8(12)13/h5-6H,2-4,7H2,1H3,(H,12,13)