2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-[1-(4-pyridyl)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-(1-pyridin-4-ylethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-[1-(4-pyridyl)ethylthio]nicotinic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C1=CC=NC=C1)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H12N2O2S/c1-9(10-4-7-14-8-5-10)18-12-11(13(16)17)3-2-6-15-12/h2-9H,1H3,(H,16,17)