2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methyl-amino]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)[O-])C1=NC(=NS1)CC2=CC=C(C=C2)F

Isomeric SMILES

CN(CC(=O)[O-])C1=NC(=NS1)CC2=CC=C(C=C2)F

InChI

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