1-(5-chloranyl-2-sulfanylidene-3H-benzimidazol-1-yl)propane-1-sulfonic acid

Systemtic Name: 1-(5-chloranyl-2-sulfanylidene-3H-benzimidazol-1-yl)propane-1-sulfonic acid Openeye Name: 1-(5-chloro-2-thioxo-3H-benzimidazol-1-yl)propane-1-sulfonic acid CAS Name: 1-(5-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)-1-propanesulfonic acid IUPAC Name: 1-(5-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)propane-1-sulfonic acid Traditional Name: 1-(5-chloro-2-thioxo-3H-benzimidazol-1-yl)propane-1-sulfonic acid Formula: C10H11ClN2O3S2 MolecularWeight: 306.78894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C2=C(C=C(C=C2)Cl)NC1=S)S(=O)(=O)O

Isomeric SMILES

CCC(N1C2=C(C=C(C=C2)Cl)NC1=S)S(=O)(=O)O

InChI

InChI=1S/C10H11ClN2O3S2/c1-2-9(18(14,15)16)13-8-4-3-6(11)5-7(8)12-10(13)17/h3-5,9H,2H2,1H3,(H,12,17)(H,14,15,16)