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

Systemtic Name: 2-[[4-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-mesylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H11N3O4S2 MolecularWeight: 313.35274

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)O

InChI

InChI=1S/C11H11N3O4S2/c1-20(17,18)9-4-2-8(3-5-9)14-7-12-13-11(14)19-6-10(15)16/h2-5,7H,6H2,1H3,(H,15,16)