2-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C13H10BrN3O3S MolecularWeight: 368.2058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC2=NC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC2=NC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H10BrN3O3S/c14-8-3-4-10(16-6-8)17-11(18)7-21-12-9(13(19)20)2-1-5-15-12/h1-6H,7H2,(H,19,20)(H,16,17,18)