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

Systemtic Name: 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C16H13FN4O2S MolecularWeight: 344.363423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=C2SCCC(=O)O)C3=CC=NC=C3)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=C2SCCC(=O)O)C3=CC=NC=C3)F

InChI

InChI=1S/C16H13FN4O2S/c17-12-1-3-13(4-2-12)21-15(11-5-8-18-9-6-11)19-20-16(21)24-10-7-14(22)23/h1-6,8-9H,7,10H2,(H,22,23)