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

Systemtic Name: 2-[[4-azanyl-5-(4-chloranyl-2-fluoranyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(4-chloro-2-fluoro-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(4-chloro-2-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(4-chloro-2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(4-chloro-2-fluoro-phenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C10H7ClFN4O2S- MolecularWeight: 301.704583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)F)C2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)F)C2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C10H8ClFN4O2S/c11-5-1-2-6(7(12)3-5)9-14-15-10(16(9)13)19-4-8(17)18/h1-3H,4,13H2,(H,17,18)/p-1