2-(1-phenylethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(1-phenylethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(1-phenylethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(1-phenylethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(1-phenylethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(1-phenylethylthio)nicotinic acid Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO2S/c1-10(11-6-3-2-4-7-11)18-13-12(14(16)17)8-5-9-15-13/h2-10H,1H3,(H,16,17)