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

Systemtic Name: 2-[[4-(2-ethyl-6-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-ethyl-6-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-ethyl-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2-ethyl-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-ethyl-6-methyl-phenyl)-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:

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

Isomeric SMILES

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

InChI

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