sodium 1-[4-[(4-methylphenyl)sulfonylamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]heptadecane-1-sulfonate

Systemtic Name: sodium 1-[4-[(4-methylphenyl)sulfonylamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]heptadecane-1-sulfonate Openeye Name: sodium 1-[4-(p-tolylsulfonylamino)-5-thioxo-1H-1,2,4-triazol-3-yl]heptadecane-1-sulfonate CAS Name: sodium 1-[4-[(4-methylphenyl)sulfonylamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-heptadecanesulfonate IUPAC Name: sodium 1-[4-[(4-methylphenyl)sulfonylamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]heptadecane-1-sulfonate Traditional Name: sodium 1-[5-thioxo-4-(tosylamino)-1H-1,2,4-triazol-3-yl]heptadecane-1-sulfonate Formula: C26H43N4NaO5S3 MolecularWeight: 610.82819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NNC(=S)N1NS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NNC(=S)N1NS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C26H44N4O5S3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(38(33,34)35)25-27-28-26(36)30(25)29-37(31,32)23-20-18-22(2)19-21-23;/h18-21,24,29H,3-17H2,1-2H3,(H,28,36)(H,33,34,35);/q;+1/p-1