2-(1-oxidanidylpyridin-1-ium-3-yl)oxybenzenecarbothioamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-3-yl)oxybenzenecarbothioamide Openeye Name: 2-(1-oxidopyridin-1-ium-3-yl)oxybenzenecarbothioamide CAS Name: 2-[(1-oxido-3-pyridin-1-iumyl)oxy]benzenecarbothioamide IUPAC Name: 2-(1-oxidopyridin-1-ium-3-yl)oxybenzenecarbothioamide Traditional Name: 2-(1-oxidopyridin-1-ium-3-yl)oxythiobenzamide Formula: C12H10N2O2S MolecularWeight: 246.285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=S)N)OC2=C[N+](=CC=C2)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=S)N)OC2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C12H10N2O2S/c13-12(17)10-5-1-2-6-11(10)16-9-4-3-7-14(15)8-9/h1-8H,(H2,13,17)