2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]thio]nicotinic acid Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C17H18N4O3S/c22-15(12-25-16-13(17(23)24)4-3-7-19-16)21-10-8-20(9-11-21)14-5-1-2-6-18-14/h1-7H,8-12H2,(H,23,24)