2-[2-[(4-acetamido-1,2,5-oxadiazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(4-acetamido-1,2,5-oxadiazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(4-acetamido-1,2,5-oxadiazol-3-yl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(4-acetamido-1,2,5-oxadiazol-3-yl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(4-acetamido-1,2,5-oxadiazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[(4-acetamidofurazan-3-yl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C12H11N5O5S MolecularWeight: 337.31124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NON=C1NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(=O)NC1=NON=C1NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C12H11N5O5S/c1-6(18)14-9-10(17-22-16-9)15-8(19)5-23-11-7(12(20)21)3-2-4-13-11/h2-4H,5H2,1H3,(H,20,21)(H,14,16,18)(H,15,17,19)