2-(pyridin-1-ium-4-ylsulfamoyl)benzenecarbothioamide

Systemtic Name: 2-(pyridin-1-ium-4-ylsulfamoyl)benzenecarbothioamide Openeye Name: 2-(pyridin-1-ium-4-ylsulfamoyl)benzenecarbothioamide CAS Name: 2-(4-pyridin-1-iumylsulfamoyl)benzenecarbothioamide IUPAC Name: 2-(pyridin-1-ium-4-ylsulfamoyl)benzenecarbothioamide Traditional Name: 2-(pyridin-1-ium-4-ylsulfamoyl)thiobenzamide Formula: C12H12N3O2S2+ MolecularWeight: 294.37258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=S)N)S(=O)(=O)NC2=CC=[NH+]C=C2

Isomeric SMILES

C1=CC=C(C(=C1)C(=S)N)S(=O)(=O)NC2=CC=[NH+]C=C2

InChI

InChI=1S/C12H11N3O2S2/c13-12(18)10-3-1-2-4-11(10)19(16,17)15-9-5-7-14-8-6-9/h1-8H,(H2,13,18)(H,14,15)/p+1