1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(4-fluorophenyl)-5-[4-(methylthio)phenyl]-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-fluorophenyl)-5-[4-(methylthio)phenyl]-1,2,4-triazole-3-carboxylic acid Formula: C16H12FN3O2S MolecularWeight: 329.348783

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C16H12FN3O2S/c1-23-13-8-2-10(3-9-13)15-18-14(16(21)22)19-20(15)12-6-4-11(17)5-7-12/h2-9H,1H3,(H,21,22)