2-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-(4-pyridylamino)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-(pyridin-4-ylamino)ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(4-pyridylamino)ethyl]thio]nicotinic acid Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3S/c17-11(16-9-3-6-14-7-4-9)8-20-12-10(13(18)19)2-1-5-15-12/h1-7H,8H2,(H,18,19)(H,14,16,17)