4-[[(2-chloranyl-6-fluoranyl-phenyl)methylamino]methyl]-1,2,3-thiadiazole-5-carboxylic acid

Systemtic Name: 4-[[(2-chloranyl-6-fluoranyl-phenyl)methylamino]methyl]-1,2,3-thiadiazole-5-carboxylic acid Openeye Name: 4-[[(2-chloro-6-fluoro-phenyl)methylamino]methyl]thiadiazole-5-carboxylic acid CAS Name: 4-[[(2-chloro-6-fluorophenyl)methylamino]methyl]-5-thiadiazolecarboxylic acid IUPAC Name: 4-[[(2-chloro-6-fluorophenyl)methylamino]methyl]thiadiazole-5-carboxylic acid Traditional Name: 4-[[(2-chloro-6-fluoro-benzyl)amino]methyl]thiadiazole-5-carboxylic acid Formula: C11H9ClFN3O2S MolecularWeight: 301.724463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CNCC2=C(SN=N2)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CNCC2=C(SN=N2)C(=O)O)F

InChI

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