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

Systemtic Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O

InChI

InChI=1S/C18H17N3O4S/c1-24-14-9-5-6-10-15(14)25-11-16-19-20-18(26-12-17(22)23)21(16)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,22,23)