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

Systemtic Name: 2-[[5-ethyl-4-(4-fluoranyl-2-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-ethyl-4-(4-fluoro-2-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-(4-fluoro-2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-ethyl-4-(4-fluoro-2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-ethyl-4-(4-fluoro-2-methyl-phenyl)-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(N1C2=C(C=C(C=C2)F)C)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=C(C=C(C=C2)F)C)SCC(=O)[O-]

InChI

InChI=1S/C13H14FN3O2S/c1-3-11-15-16-13(20-7-12(18)19)17(11)10-5-4-9(14)6-8(10)2/h4-6H,3,7H2,1-2H3,(H,18,19)/p-1