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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=C(C=CC=C2C)C)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=C(C=CC=C2C)C)SCC(=O)[O-]

InChI

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