2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C16H18N3O5S- MolecularWeight: 364.39622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2CC=C)SCC(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2CC=C)SCC(=O)[O-]

InChI

InChI=1S/C16H19N3O5S/c1-5-6-19-15(17-18-16(19)25-9-13(20)21)10-7-11(22-2)14(24-4)12(8-10)23-3/h5,7-8H,1,6,9H2,2-4H3,(H,20,21)/p-1