2-fluoranyl-5-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid

Systemtic Name: 2-fluoranyl-5-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Openeye Name: 2-fluoro-5-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid CAS Name: 2-fluoro-5-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid IUPAC Name: 2-fluoro-5-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Traditional Name: 2-fluoro-5-[[5-(4-mesylphenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Formula: C17H14FN3O4S2 MolecularWeight: 407.439163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC(=C(C=C2)F)C(=O)O)SC(=N1)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NC2=CC(=C(C=C2)F)C(=O)O)SC(=N1)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H14FN3O4S2/c1-21-17(19-11-5-8-14(18)13(9-11)16(22)23)26-15(20-21)10-3-6-12(7-4-10)27(2,24)25/h3-9H,1-2H3,(H,22,23)