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

Systemtic Name: tert-butyl 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C14H16FN3O2S MolecularWeight: 309.359143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NNC(=N1)C2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NNC(=N1)C2=CC=CC=C2F

InChI

InChI=1S/C14H16FN3O2S/c1-14(2,3)20-11(19)8-21-13-16-12(17-18-13)9-6-4-5-7-10(9)15/h4-7H,8H2,1-3H3,(H,16,17,18)