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

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(o-tolyl)-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=CC=C1N2C=NN=C2SCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC(=O)O

InChI

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