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

Systemtic Name: 2-methylpropyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isobutyl 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-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O2S/c1-14(2)12-26-18(25)13-27-20-23-22-19(15-8-10-16(21)11-9-15)24(20)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3