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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O

InChI

InChI=1S/C11H11N3O2S/c1-7-2-4-8(5-3-7)10-12-11(14-13-10)17-6-9(15)16/h2-5H,6H2,1H3,(H,15,16)(H,12,13,14)