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

Systemtic Name: 2-[[5-[(2-ethoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-[(2-ethoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(2-ethoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(2-ethoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-[(2-ethoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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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)