2-phenyl-2-pyrazin-2-ylsulfanyl-ethanoic acid

Systemtic Name: 2-phenyl-2-pyrazin-2-ylsulfanyl-ethanoic acid Openeye Name: 2-phenyl-2-pyrazin-2-ylsulfanyl-acetic acid CAS Name: 2-phenyl-2-(2-pyrazinylthio)acetic acid IUPAC Name: 2-phenyl-2-pyrazin-2-ylsulfanylacetic acid Traditional Name: 2-phenyl-2-(pyrazin-2-ylthio)acetic acid Formula: C12H10N2O2S MolecularWeight: 246.285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=NC=CN=C2

InChI

InChI=1S/C12H10N2O2S/c15-12(16)11(9-4-2-1-3-5-9)17-10-8-13-6-7-14-10/h1-8,11H,(H,15,16)