2-[[5-ethyl-4-(3-fluoranyl-4-methoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-ethyl-4-(3-fluoranyl-4-methoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(3-fluoro-4-methoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-(3-fluoro-4-methoxy-phenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H14FN3O3S MolecularWeight: 311.331963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC(=C(C=C2)OC)F)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C2=CC(=C(C=C2)OC)F)SCC(=O)O

InChI

InChI=1S/C13H14FN3O3S/c1-3-11-15-16-13(21-7-12(18)19)17(11)8-4-5-10(20-2)9(14)6-8/h4-6H,3,7H2,1-2H3,(H,18,19)