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

Systemtic Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1CCC2=CC=CC=C2)COC3=CC=CC=C3OC

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1CCC2=CC=CC=C2)COC3=CC=CC=C3OC

InChI

InChI=1S/C21H23N3O4S/c1-15(20(25)26)29-21-23-22-19(14-28-18-11-7-6-10-17(18)27-2)24(21)13-12-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,25,26)