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

Systemtic Name: 2-phenoxyethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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-phenoxyethyl ester Formula: C24H20FN3O3S MolecularWeight: 449.497303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3O3S/c25-19-13-11-18(12-14-19)23-26-27-24(28(23)20-7-3-1-4-8-20)32-17-22(29)31-16-15-30-21-9-5-2-6-10-21/h1-14H,15-17H2