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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C=NN=C2SCC(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C=NN=C2SCC(=O)[O-]

InChI

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