pyridin-2-ylmethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: pyridin-2-ylmethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-pyridylmethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid 2-pyridylmethyl ester Formula: C22H17FN4O2S MolecularWeight: 420.459383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCC3=CC=CC=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCC3=CC=CC=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN4O2S/c23-17-11-9-16(10-12-17)21-25-26-22(27(21)19-7-2-1-3-8-19)30-15-20(28)29-14-18-6-4-5-13-24-18/h1-13H,14-15H2