sodium 1-[4-(4-oxidanylidene-2-phenyl-1,3-thiazolidin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]heptadecane-1-sulfonate

Systemtic Name: sodium 1-[4-(4-oxidanylidene-2-phenyl-1,3-thiazolidin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]heptadecane-1-sulfonate Openeye Name: sodium 1-[4-(4-oxo-2-phenyl-thiazolidin-3-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]heptadecane-1-sulfonate CAS Name: sodium 1-[4-(4-oxo-2-phenyl-3-thiazolidinyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-heptadecanesulfonate IUPAC Name: sodium 1-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]heptadecane-1-sulfonate Traditional Name: sodium 1-[4-(4-keto-2-phenyl-thiazolidin-3-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]heptadecane-1-sulfonate Formula: C28H43N4NaO4S3 MolecularWeight: 618.85019

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NNC(=S)N1N2C(SCC2=O)C3=CC=CC=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NNC(=S)N1N2C(SCC2=O)C3=CC=CC=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H44N4O4S3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(39(34,35)36)26-29-30-28(37)32(26)31-25(33)22-38-27(31)23-19-16-15-17-20-23;/h15-17,19-20,24,27H,2-14,18,21-22H2,1H3,(H,30,37)(H,34,35,36);/q;+1/p-1