2-[5-methyl-3-sulfanyl-4-(5-sulfopyridin-2-yl)-1,2,4-triazolidin-1-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-3-sulfanyl-4-(5-sulfopyridin-2-yl)-1,2,4-triazolidin-1-yl]ethanoic acid Openeye Name: 2-[5-methyl-3-sulfanyl-4-(5-sulfo-2-pyridyl)-1,2,4-triazolidin-1-yl]acetic acid CAS Name: 2-[3-mercapto-5-methyl-4-(5-sulfo-2-pyridinyl)-1,2,4-triazolidin-1-yl]acetic acid IUPAC Name: 2-[5-methyl-3-sulfanyl-4-(5-sulfopyridin-2-yl)-1,2,4-triazolidin-1-yl]acetic acid Traditional Name: 2-[3-mercapto-5-methyl-4-(5-sulfo-2-pyridyl)-1,2,4-triazolidin-1-yl]acetic acid Formula: C10H14N4O5S2 MolecularWeight: 334.37196

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1C2=NC=C(C=C2)S(=O)(=O)O)S)CC(=O)O

Isomeric SMILES

CC1N(NC(N1C2=NC=C(C=C2)S(=O)(=O)O)S)CC(=O)O

InChI

InChI=1S/C10H14N4O5S2/c1-6-13(5-9(15)16)12-10(20)14(6)8-3-2-7(4-11-8)21(17,18)19/h2-4,6,10,12,20H,5H2,1H3,(H,15,16)(H,17,18,19)