2-phenyl-2-(pyridin-4-ylmethylsulfanyl)ethanoic acid

Systemtic Name: 2-phenyl-2-(pyridin-4-ylmethylsulfanyl)ethanoic acid Openeye Name: 2-phenyl-2-(4-pyridylmethylsulfanyl)acetic acid CAS Name: 2-phenyl-2-(pyridin-4-ylmethylthio)acetic acid IUPAC Name: 2-phenyl-2-(pyridin-4-ylmethylsulfanyl)acetic acid Traditional Name: 2-phenyl-2-(4-pyridylmethylthio)acetic acid Formula: C14H13NO2S MolecularWeight: 259.32352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SCC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SCC2=CC=NC=C2

InChI

InChI=1S/C14H13NO2S/c16-14(17)13(12-4-2-1-3-5-12)18-10-11-6-8-15-9-7-11/h1-9,13H,10H2,(H,16,17)