sodium 4-[(2-sulfanyl-3H-1,3,4-thiadiazol-2-yl)sulfanyl]butane-1-sulfonate

Systemtic Name: sodium 4-[(2-sulfanyl-3H-1,3,4-thiadiazol-2-yl)sulfanyl]butane-1-sulfonate Openeye Name: sodium 4-[(2-sulfanyl-3H-1,3,4-thiadiazol-2-yl)sulfanyl]butane-1-sulfonate CAS Name: sodium 4-[(2-mercapto-3H-1,3,4-thiadiazol-2-yl)thio]-1-butanesulfonate IUPAC Name: sodium 4-[(2-sulfanyl-3H-1,3,4-thiadiazol-2-yl)sulfanyl]butane-1-sulfonate Traditional Name: sodium 4-[(2-mercapto-3H-1,3,4-thiadiazol-2-yl)thio]butane-1-sulfonate Formula: C6H11N2NaO3S4 MolecularWeight: 310.41291

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(S1)(S)SCCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=NNC(S1)(S)SCCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C6H12N2O3S4.Na/c9-15(10,11)4-2-1-3-13-6(12)8-7-5-14-6;/h5,8,12H,1-4H2,(H,9,10,11);/q;+1/p-1