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

Systemtic Name: sodium 3-(2-sulfanylidene-1H-imidazol-3-yl)benzenesulfonate Openeye Name: sodium 3-(2-thioxo-1H-imidazol-3-yl)benzenesulfonate CAS Name: sodium 3-(2-sulfanylidene-1H-imidazol-3-yl)benzenesulfonate IUPAC Name: sodium 3-(2-sulfanylidene-1H-imidazol-3-yl)benzenesulfonate Traditional Name: sodium 3-(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(=C1)S(=O)(=O)[O-])N2C=CNC2=S.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])N2C=CNC2=S.[Na+]

InChI

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