sodium 4-(2-sulfanylidene-1H-imidazol-3-yl)benzenesulfonate

Systemtic Name: sodium 4-(2-sulfanylidene-1H-imidazol-3-yl)benzenesulfonate Openeye Name: sodium 4-(2-thioxo-1H-imidazol-3-yl)benzenesulfonate CAS Name: sodium 4-(2-sulfanylidene-1H-imidazol-3-yl)benzenesulfonate IUPAC Name: sodium 4-(2-sulfanylidene-1H-imidazol-3-yl)benzenesulfonate Traditional Name: sodium 4-(2-thioxo-4-imidazolin-1-yl)besylate Formula: C9H7N2NaO3S2 MolecularWeight: 278.28325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=CNC2=S)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N2C=CNC2=S)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H8N2O3S2.Na/c12-16(13,14)8-3-1-7(2-4-8)11-6-5-10-9(11)15;/h1-6H,(H,10,15)(H,12,13,14);/q;+1/p-1