3-[[5-[(3-fluoranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-[(3-fluoranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-[(3-fluorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(3-fluorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-[(3-fluorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[(3-fluorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propionate Formula: C13H13FN3O3S- MolecularWeight: 310.324023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])COC2=CC(=CC=C2)F

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])COC2=CC(=CC=C2)F

InChI

InChI=1S/C13H14FN3O3S/c1-17-11(8-20-10-4-2-3-9(14)7-10)15-16-13(17)21-6-5-12(18)19/h2-4,7H,5-6,8H2,1H3,(H,18,19)/p-1