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

Systemtic Name: 2-[[5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H11FN3O2S- MolecularWeight: 292.308743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12FN3O2S/c14-9-3-5-10(6-4-9)17-12(8-1-2-8)15-16-13(17)20-7-11(18)19/h3-6,8H,1-2,7H2,(H,18,19)/p-1