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

Systemtic Name: 2-[[5-[(2-ethoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-[(2-ethoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-ethoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-ethoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(2-ethoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C16H18N3O4S- MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC(=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-3-9-19-14(17-18-16(19)24-11-15(20)21)10-23-13-8-6-5-7-12(13)22-4-2/h3,5-8H,1,4,9-11H2,2H3,(H,20,21)/p-1