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

Systemtic Name: 2-[[4-(2-chloranyl-4-fluoranyl-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-chloro-4-fluoro-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-chloro-4-fluorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2-chloro-4-fluorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-chloro-4-fluoro-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H10ClFN3O2S- MolecularWeight: 326.753803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=C(C=C(C=C3)F)Cl)SCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3=C(C=C(C=C3)F)Cl)SCC(=O)[O-]

InChI

InChI=1S/C13H11ClFN3O2S/c14-9-5-8(15)3-4-10(9)18-12(7-1-2-7)16-17-13(18)21-6-11(19)20/h3-5,7H,1-2,6H2,(H,19,20)/p-1