6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid Openeye Name: 6-(2-naphthylsulfanyl)pyridine-3-carboxylic acid CAS Name: 6-(2-naphthalenylthio)-3-pyridinecarboxylic acid IUPAC Name: 6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid Traditional Name: 6-(2-naphthylthio)nicotinic acid Formula: C16H11NO2S MolecularWeight: 281.32904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H11NO2S/c18-16(19)13-6-8-15(17-10-13)20-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,18,19)