2-[[4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-ethyl-6-methylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2-ethyl-6-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H14N3O2S- MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C=NN=C2SCC(=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1N2C=NN=C2SCC(=O)[O-])C

InChI

InChI=1S/C13H15N3O2S/c1-3-10-6-4-5-9(2)12(10)16-8-14-15-13(16)19-7-11(17)18/h4-6,8H,3,7H2,1-2H3,(H,17,18)/p-1