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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=C(C=C(C=C2)F)Cl)SCC(=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1C2=C(C=C(C=C2)F)Cl)SCC(=O)[O-]

InChI

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