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

Systemtic Name: 2-[[4-(2,6-dimethylphenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2,6-dimethylphenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2,6-dimethylphenyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2,6-dimethylphenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2,6-dimethylphenyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetate Formula: C15H18N3O2S- MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=C(C=CC=C2C)C)SCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1C2=C(C=CC=C2C)C)SCC(=O)[O-]

InChI

InChI=1S/C15H19N3O2S/c1-4-6-12-16-17-15(21-9-13(19)20)18(12)14-10(2)7-5-8-11(14)3/h5,7-8H,4,6,9H2,1-3H3,(H,19,20)/p-1