2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)thio]nicotinic acid Formula: C11H10N4O4S MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])SC2=C(C=CC=N2)C(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])SC2=C(C=CC=N2)C(=O)O)C

InChI

InChI=1S/C11H10N4O4S/c1-6-8(15(18)19)10(14(2)13-6)20-9-7(11(16)17)4-3-5-12-9/h3-5H,1-2H3,(H,16,17)