2-[2-(4-cyanophenoxy)ethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(4-cyanophenoxy)ethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(4-cyanophenoxy)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(4-cyanophenoxy)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-cyanophenoxy)ethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(4-cyanophenoxy)ethylthio]nicotinic acid Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCOC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCOC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C15H12N2O3S/c16-10-11-3-5-12(6-4-11)20-8-9-21-14-13(15(18)19)2-1-7-17-14/h1-7H,8-9H2,(H,18,19)