3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid

Systemtic Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoic acid CAS Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionic acid Formula: C11H10FN3O2S MolecularWeight: 267.279403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=S)N2CCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=S)N2CCC(=O)O)F

InChI

InChI=1S/C11H10FN3O2S/c12-8-3-1-7(2-4-8)10-13-14-11(18)15(10)6-5-9(16)17/h1-4H,5-6H2,(H,14,18)(H,16,17)