3-(1-oxidanidylpyridin-1-ium-3-yl)propane-1-thiol

Systemtic Name: 3-(1-oxidanidylpyridin-1-ium-3-yl)propane-1-thiol Openeye Name: 3-(1-oxidopyridin-1-ium-3-yl)propane-1-thiol CAS Name: 3-(1-oxido-3-pyridin-1-iumyl)-1-propanethiol IUPAC Name: 3-(1-oxidopyridin-1-ium-3-yl)propane-1-thiol Traditional Name: 3-(1-oxidopyridin-1-ium-3-yl)propane-1-thiol Formula: C8H11NOS MolecularWeight: 169.24404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])CCCS

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])CCCS

InChI

InChI=1S/C8H11NOS/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7,11H,2,4,6H2