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

Systemtic Name: 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propionic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)O)COC2=CC=CC(=C2)C

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)O)COC2=CC=CC(=C2)C

InChI

InChI=1S/C15H19N3O3S/c1-4-18-13(9-21-12-7-5-6-10(2)8-12)16-17-15(18)22-11(3)14(19)20/h5-8,11H,4,9H2,1-3H3,(H,19,20)