sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-oxidanyl-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-oxidanyl-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-hydroxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-hydroxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-hydroxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-hydroxy-1,4-diketo-butane-2-sulfonate Formula: C10H14N3NaO6S2 MolecularWeight: 359.35443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)CC(C(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)CC(C(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H15N3O6S2.Na/c1-2-3-4-8-12-13-10(20-8)11-7(14)5-6(9(15)16)21(17,18)19;/h6H,2-5H2,1H3,(H,15,16)(H,11,13,14)(H,17,18,19);/q;+1/p-1