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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC(=O)O

InChI

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