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

Systemtic Name: 2-[[4-(3-chloranyl-2-fluoranyl-phenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-chloro-2-fluoro-phenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chloro-2-fluorophenyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-chloro-2-fluorophenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chloro-2-fluoro-phenyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H12ClFN3O2S- MolecularWeight: 328.769683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=C(C(=CC=C2)Cl)F)SCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1C2=C(C(=CC=C2)Cl)F)SCC(=O)[O-]

InChI

InChI=1S/C13H13ClFN3O2S/c1-2-4-10-16-17-13(21-7-11(19)20)18(10)9-6-3-5-8(14)12(9)15/h3,5-6H,2,4,7H2,1H3,(H,19,20)/p-1