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

Systemtic Name: 2-[[4-azanyl-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(4-mesylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H12N4O4S2 MolecularWeight: 328.36738

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C11H12N4O4S2/c1-21(18,19)8-4-2-7(3-5-8)10-13-14-11(15(10)12)20-6-9(16)17/h2-5H,6,12H2,1H3,(H,16,17)