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

Systemtic Name: 2-[[4-(5-fluoranyl-2-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(5-fluoro-2-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(5-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(5-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(5-fluoro-2-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H12FN3O2S MolecularWeight: 281.305983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)N2C(=NN=C2SCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)N2C(=NN=C2SCC(=O)O)C

InChI

InChI=1S/C12H12FN3O2S/c1-7-3-4-9(13)5-10(7)16-8(2)14-15-12(16)19-6-11(17)18/h3-5H,6H2,1-2H3,(H,17,18)