2-[[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C=NN=C2SCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C=NN=C2SCC(=O)[O-])C

InChI

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