6-(4-pentan-3-ylsulfanylphenoxy)pyridine-3-carboxylic acid

Systemtic Name: 6-(4-pentan-3-ylsulfanylphenoxy)pyridine-3-carboxylic acid Openeye Name: 6-[4-(1-ethylpropylsulfanyl)phenoxy]pyridine-3-carboxylic acid CAS Name: 6-[4-(pentan-3-ylthio)phenoxy]-3-pyridinecarboxylic acid IUPAC Name: 6-(4-pentan-3-ylsulfanylphenoxy)pyridine-3-carboxylic acid Traditional Name: 6-[4-(1-ethylpropylthio)phenoxy]nicotinic acid Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(CC)SC1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H19NO3S/c1-3-14(4-2)22-15-8-6-13(7-9-15)21-16-10-5-12(11-18-16)17(19)20/h5-11,14H,3-4H2,1-2H3,(H,19,20)