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

Systemtic Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2C

InChI

InChI=1S/C13H15N3O2S/c1-3-16-12(10-7-5-4-6-9(10)2)14-15-13(16)19-8-11(17)18/h4-7H,3,8H2,1-2H3,(H,17,18)