2-chloranyl-2-(1-methylimidazol-2-yl)sulfanyl-ethanoic acid

Systemtic Name: 2-chloranyl-2-(1-methylimidazol-2-yl)sulfanyl-ethanoic acid Openeye Name: 2-chloro-2-(1-methylimidazol-2-yl)sulfanyl-acetic acid CAS Name: 2-chloro-2-[(1-methyl-2-imidazolyl)thio]acetic acid IUPAC Name: 2-chloro-2-(1-methylimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-chloro-2-[(1-methylimidazol-2-yl)thio]acetic acid Formula: C6H7ClN2O2S MolecularWeight: 206.64998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC(C(=O)O)Cl

Isomeric SMILES

CN1C=CN=C1SC(C(=O)O)Cl

InChI

InChI=1S/C6H7ClN2O2S/c1-9-3-2-8-6(9)12-4(7)5(10)11/h2-4H,1H3,(H,10,11)