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

Systemtic Name: 2-[[5-ethyl-4-(2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-ethyl-4-(2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-(2-methoxy-5-methylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-ethyl-4-(2-methoxy-5-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-ethyl-4-(2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C14H16N3O3S- MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=C(C=CC(=C2)C)OC)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=C(C=CC(=C2)C)OC)SCC(=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c1-4-12-15-16-14(21-8-13(18)19)17(12)10-7-9(2)5-6-11(10)20-3/h5-7H,4,8H2,1-3H3,(H,18,19)/p-1