sodium 1-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptadecane-1-sulfonate

Systemtic Name: sodium 1-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptadecane-1-sulfonate Openeye Name: sodium 1-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)heptadecane-1-sulfonate CAS Name: sodium 1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-heptadecanesulfonate IUPAC Name: sodium 1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptadecane-1-sulfonate Traditional Name: sodium 1-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)heptadecane-1-sulfonate Formula: C19H37N4NaO3S2 MolecularWeight: 456.64185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NNC(=S)N1N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NNC(=S)N1N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H38N4O3S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(28(24,25)26)18-21-22-19(27)23(18)20;/h17H,2-16,20H2,1H3,(H,22,27)(H,24,25,26);/q;+1/p-1