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

Systemtic Name: 2-[[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-(4-fluorobenzyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C14H13FN3O2S- MolecularWeight: 306.335323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=C(C=C3)F)SCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=C(C=C3)F)SCC(=O)[O-]

InChI

InChI=1S/C14H14FN3O2S/c15-11-5-1-9(2-6-11)7-18-13(10-3-4-10)16-17-14(18)21-8-12(19)20/h1-2,5-6,10H,3-4,7-8H2,(H,19,20)/p-1