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

Systemtic Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(4-methyl-5-p-anisyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C13H15N3O3S/c1-16-11(14-15-13(16)20-8-12(17)18)7-9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,17,18)