1-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(3-chloro-4-fluoro-phenyl)sulfanylethyl]triazole-4-carboxylic acid CAS Name: 1-[2-[(3-chloro-4-fluorophenyl)thio]ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(3-chloro-4-fluorophenyl)sulfanylethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-[(3-chloro-4-fluoro-phenyl)thio]ethyl]triazole-4-carboxylic acid Formula: C11H9ClFN3O2S MolecularWeight: 301.724463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCN2C=C(N=N2)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1SCCN2C=C(N=N2)C(=O)O)Cl)F

InChI

InChI=1S/C11H9ClFN3O2S/c12-8-5-7(1-2-9(8)13)19-4-3-16-6-10(11(17)18)14-15-16/h1-2,5-6H,3-4H2,(H,17,18)