2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H14N4O3S/c1-7-11(8(2)17-16-7)15-10(18)6-21-12-9(13(19)20)4-3-5-14-12/h3-5H,6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)