2-[2,6-bis(chloranyl)phenyl]sulfanyl-3-imidazol-1-yl-propanoic acid

Systemtic Name: 2-[2,6-bis(chloranyl)phenyl]sulfanyl-3-imidazol-1-yl-propanoic acid Openeye Name: 2-(2,6-dichlorophenyl)sulfanyl-3-imidazol-1-yl-propanoic acid CAS Name: 2-[(2,6-dichlorophenyl)thio]-3-(1-imidazolyl)propanoic acid IUPAC Name: 2-(2,6-dichlorophenyl)sulfanyl-3-imidazol-1-ylpropanoic acid Traditional Name: 2-[(2,6-dichlorophenyl)thio]-3-imidazol-1-yl-propionic acid Formula: C12H10Cl2N2O2S MolecularWeight: 317.191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)SC(CN2C=CN=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)SC(CN2C=CN=C2)C(=O)O)Cl

InChI

InChI=1S/C12H10Cl2N2O2S/c13-8-2-1-3-9(14)11(8)19-10(12(17)18)6-16-5-4-15-7-16/h1-5,7,10H,6H2,(H,17,18)