sodium 3-(5-chloranyl-2-sulfanylidene-3H-benzimidazol-1-yl)propane-1-sulfonate

Systemtic Name: sodium 3-(5-chloranyl-2-sulfanylidene-3H-benzimidazol-1-yl)propane-1-sulfonate Openeye Name: sodium 3-(5-chloro-2-thioxo-3H-benzimidazol-1-yl)propane-1-sulfonate CAS Name: sodium 3-(5-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)-1-propanesulfonate IUPAC Name: sodium 3-(5-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)propane-1-sulfonate Traditional Name: sodium 3-(5-chloro-2-thioxo-3H-benzimidazol-1-yl)propane-1-sulfonate Formula: C10H10ClN2NaO3S2 MolecularWeight: 328.77077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)NC(=S)N2CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1Cl)NC(=S)N2CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H11ClN2O3S2.Na/c11-7-2-3-9-8(6-7)12-10(17)13(9)4-1-5-18(14,15)16;/h2-3,6H,1,4-5H2,(H,12,17)(H,14,15,16);/q;+1/p-1