3-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-chloro-1-methyl-imidazol-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(5-chloro-1-methyl-2-imidazolyl)methylthio]propanoic acid IUPAC Name: 3-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(5-chloro-1-methyl-imidazol-2-yl)methylthio]propionic acid Formula: C8H11ClN2O2S MolecularWeight: 234.70314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1CSCCC(=O)O)Cl

Isomeric SMILES

CN1C(=CN=C1CSCCC(=O)O)Cl

InChI

InChI=1S/C8H11ClN2O2S/c1-11-6(9)4-10-7(11)5-14-3-2-8(12)13/h4H,2-3,5H2,1H3,(H,12,13)