disodium 2-[5-methyl-3-sulfanidyl-4-(5-sulfonatopyridin-2-yl)-1,2,4-triazolidin-1-yl]ethanoate

Systemtic Name: disodium 2-[5-methyl-3-sulfanidyl-4-(5-sulfonatopyridin-2-yl)-1,2,4-triazolidin-1-yl]ethanoate Openeye Name: disodium 2-[5-methyl-3-sulfido-4-(5-sulfonato-2-pyridyl)-1,2,4-triazolidin-1-yl]acetate CAS Name: disodium 2-[5-methyl-3-sulfido-4-(5-sulfonato-2-pyridinyl)-1,2,4-triazolidin-1-yl]acetate IUPAC Name: disodium 2-[5-methyl-3-sulfido-4-(5-sulfonatopyridin-2-yl)-1,2,4-triazolidin-1-yl]acetate Traditional Name: disodium 2-[5-methyl-3-sulfido-4-(5-sulfonato-2-pyridyl)-1,2,4-triazolidin-1-yl]acetate Formula: C10H11N4Na2O5S2- MolecularWeight: 377.32768

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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-].[Na+].[Na+]

Isomeric SMILES

CC1N(NC(N1C2=NC=C(C=C2)S(=O)(=O)[O-])[S-])CC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H14N4O5S2.2Na/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);;/q;2*+1/p-3