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

Systemtic Name: phenyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C22H16FN3O2S MolecularWeight: 405.444743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O2S/c23-17-13-11-16(12-14-17)21-24-25-22(26(21)18-7-3-1-4-8-18)29-15-20(27)28-19-9-5-2-6-10-19/h1-14H,15H2