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

Systemtic Name: sodium 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-oxidanyl-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-hydroxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-hydroxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-hydroxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-hydroxy-1,4-diketo-butane-2-sulfonate Formula: C8H10N3NaO6S2 MolecularWeight: 331.30127

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CC(C(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CC(C(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H11N3O6S2.Na/c1-2-6-10-11-8(18-6)9-5(12)3-4(7(13)14)19(15,16)17;/h4H,2-3H2,1H3,(H,13,14)(H,9,11,12)(H,15,16,17);/q;+1/p-1