quinolin-8-ylmethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: quinolin-8-ylmethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 8-quinolylmethyl 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 8-quinolinylmethyl ester IUPAC Name: quinolin-8-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 8-quinolylmethyl ester Formula: C26H19FN4O2S MolecularWeight: 470.518063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCC3=CC=CC4=C3N=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCC3=CC=CC4=C3N=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H19FN4O2S/c27-21-13-11-19(12-14-21)25-29-30-26(31(25)22-9-2-1-3-10-22)34-17-23(32)33-16-20-7-4-6-18-8-5-15-28-24(18)20/h1-15H,16-17H2