sodium 1-(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)heptadecane-1-sulfonate

Systemtic Name: sodium 1-(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)heptadecane-1-sulfonate Openeye Name: sodium 1-(6-thioxo-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)heptadecane-1-sulfonate CAS Name: sodium 1-(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-1-heptadecanesulfonate IUPAC Name: sodium 1-(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)heptadecane-1-sulfonate Traditional Name: sodium 1-(6-thioxo-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)heptadecane-1-sulfonate Formula: C20H35N4NaO3S3 MolecularWeight: 498.70167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NN=C2N1NC(=S)S2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NN=C2N1NC(=S)S2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H36N4O3S3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(30(25,26)27)18-21-22-19-24(18)23-20(28)29-19;/h17H,2-16H2,1H3,(H,23,28)(H,25,26,27);/q;+1/p-1