potassium 1-(5-chloranylpyridin-2-yl)carbonyl-4,5,6,7-tetrahydrobenzimidazole-2-thiolate

Systemtic Name: potassium 1-(5-chloranylpyridin-2-yl)carbonyl-4,5,6,7-tetrahydrobenzimidazole-2-thiolate Openeye Name: potassium 1-(5-chloropyridine-2-carbonyl)-4,5,6,7-tetrahydrobenzimidazole-2-thiolate CAS Name: potassium 1-[(5-chloro-2-pyridinyl)-oxomethyl]-4,5,6,7-tetrahydrobenzimidazole-2-thiolate IUPAC Name: potassium 1-(5-chloropyridine-2-carbonyl)-4,5,6,7-tetrahydrobenzimidazole-2-thiolate Traditional Name: potassium 1-(5-chloropicolinoyl)-4,5,6,7-tetrahydrobenzimidazole-2-thiolate Formula: C13H11ClKN3OS MolecularWeight: 331.86224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(N2C(=O)C3=NC=C(C=C3)Cl)[S-].[K+]

Isomeric SMILES

C1CCC2=C(C1)N=C(N2C(=O)C3=NC=C(C=C3)Cl)[S-].[K+]

InChI

InChI=1S/C13H12ClN3OS.K/c14-8-5-6-10(15-7-8)12(18)17-11-4-2-1-3-9(11)16-13(17)19;/h5-7H,1-4H2,(H,16,19);/q;+1/p-1