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

Systemtic Name: 2-[3-(carboxymethylsulfanyl)-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-(carboxymethylsulfanyl)-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-(carboxymethylthio)-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-(carboxymethylsulfanyl)-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-(carboxymethylthio)-1,2,4-triazol-4-yl]acetic acid Formula: C6H7N3O4S MolecularWeight: 217.20248

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN=C(N1CC(=O)O)SCC(=O)O

Isomeric SMILES

C1=NN=C(N1CC(=O)O)SCC(=O)O

InChI

InChI=1S/C6H7N3O4S/c10-4(11)1-9-3-7-8-6(9)14-2-5(12)13/h3H,1-2H2,(H,10,11)(H,12,13)