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

Systemtic Name: 3-[[4-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[4-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propionate Formula: C15H18N3O4S- MolecularWeight: 336.38612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)[O-])COC2=CC=CC=C2OC

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)[O-])COC2=CC=CC=C2OC

InChI

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