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

Systemtic Name: 1-phenylethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 1-phenylethyl 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 1-phenylethyl ester IUPAC Name: 1-phenylethyl 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 1-phenylethyl ester Formula: C24H20FN3O2S MolecularWeight: 433.497903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C1=CC=CC=C1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3O2S/c1-17(18-8-4-2-5-9-18)30-22(29)16-31-24-27-26-23(19-12-14-20(25)15-13-19)28(24)21-10-6-3-7-11-21/h2-15,17H,16H2,1H3