1-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptadecane-1-sulfonic acid

Systemtic Name: 1-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptadecane-1-sulfonic acid Openeye Name: 1-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)heptadecane-1-sulfonic acid CAS Name: 1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-heptadecanesulfonic acid IUPAC Name: 1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)heptadecane-1-sulfonic acid Traditional Name: 1-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)heptadecane-1-sulfonic acid Formula: C19H38N4O3S2 MolecularWeight: 434.66002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NNC(=S)N1N)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NNC(=S)N1N)S(=O)(=O)O

InChI

InChI=1S/C19H38N4O3S2/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)