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

Systemtic Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfonyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfonyl]-2-fluoro-benzoic acid CAS Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfonyl]-2-fluorobenzoic acid Traditional Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfonyl]-2-fluoro-benzoic acid Formula: C12H12FN3O4S MolecularWeight: 313.304783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)CS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

Isomeric SMILES

CC1=NN=C(N1C)CS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C12H12FN3O4S/c1-7-14-15-11(16(7)2)6-21(19,20)8-3-4-10(13)9(5-8)12(17)18/h3-5H,6H2,1-2H3,(H,17,18)