3-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propionic acid Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)O)COC2=CC=CC(=C2)OC

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)O)COC2=CC=CC(=C2)OC

InChI

InChI=1S/C15H19N3O4S/c1-3-18-13(16-17-15(18)23-8-7-14(19)20)10-22-12-6-4-5-11(9-12)21-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,19,20)