2-phenacylsulfanylpyridine-4-carboxylic acid

Systemtic Name: 2-phenacylsulfanylpyridine-4-carboxylic acid Openeye Name: 2-phenacylsulfanylpyridine-4-carboxylic acid CAS Name: 2-(phenacylthio)-4-pyridinecarboxylic acid IUPAC Name: 2-phenacylsulfanylpyridine-4-carboxylic acid Traditional Name: 2-(phenacylthio)isonicotinic acid Formula: C14H11NO3S MolecularWeight: 273.30704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H11NO3S/c16-12(10-4-2-1-3-5-10)9-19-13-8-11(14(17)18)6-7-15-13/h1-8H,9H2,(H,17,18)