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

Systemtic Name: 2-[[5-ethyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-ethyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-ethyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-ethyl-4-(4-fluorobenzyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H13FN3O2S- MolecularWeight: 294.324623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC2=CC=C(C=C2)F)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1CC2=CC=C(C=C2)F)SCC(=O)[O-]

InChI

InChI=1S/C13H14FN3O2S/c1-2-11-15-16-13(20-8-12(18)19)17(11)7-9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3,(H,18,19)/p-1