4-chloranyl-3-[(1,4-dimethyl-5-oxidanylidene-1,2,4-triazol-3-yl)sulfonyl]-2-fluoranyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[(1,4-dimethyl-5-oxidanylidene-1,2,4-triazol-3-yl)sulfonyl]-2-fluoranyl-benzoic acid Openeye Name: 4-chloro-3-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)sulfonyl]-2-fluoro-benzoic acid CAS Name: 4-chloro-3-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)sulfonyl]-2-fluorobenzoic acid IUPAC Name: 4-chloro-3-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)sulfonyl]-2-fluorobenzoic acid Traditional Name: 4-chloro-2-fluoro-3-[(5-keto-1,4-dimethyl-1,2,4-triazol-3-yl)sulfonyl]benzoic acid Formula: C11H9ClFN3O5S MolecularWeight: 349.722663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C)S(=O)(=O)C2=C(C=CC(=C2F)C(=O)O)Cl

Isomeric SMILES

CN1C(=NN(C1=O)C)S(=O)(=O)C2=C(C=CC(=C2F)C(=O)O)Cl

InChI

InChI=1S/C11H9ClFN3O5S/c1-15-10(14-16(2)11(15)19)22(20,21)8-6(12)4-3-5(7(8)13)9(17)18/h3-4H,1-2H3,(H,17,18)