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

Systemtic Name: 2-[[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-fluorobenzyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H11FN3O2S- MolecularWeight: 280.298043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=C(C=C2)F)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC2=CC=C(C=C2)F)SCC(=O)[O-]

InChI

InChI=1S/C12H12FN3O2S/c1-8-14-15-12(19-7-11(17)18)16(8)6-9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3,(H,17,18)/p-1