2-[[5-methyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-methyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-methyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-methyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-methyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-mesityl-5-methyl-1,2,4-triazol-3-yl)thio]acetate Formula: C14H16N3O2S- MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-8-5-9(2)13(10(3)6-8)17-11(4)15-16-14(17)20-7-12(18)19/h5-6H,7H2,1-4H3,(H,18,19)/p-1