2-[2-oxidanylidene-2-[[4-(pyridin-4-ylmethyl)phenyl]amino]ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-[[4-(pyridin-4-ylmethyl)phenyl]amino]ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-[4-(4-pyridylmethyl)anilino]ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-[4-(4-pyridylmethyl)anilino]ethyl]thio]nicotinic acid Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C20H17N3O3S/c24-18(13-27-19-17(20(25)26)2-1-9-22-19)23-16-5-3-14(4-6-16)12-15-7-10-21-11-8-15/h1-11H,12-13H2,(H,23,24)(H,25,26)