1-(2-sulfanylidene-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)heptadecane-1-sulfonate

Systemtic Name: 1-(2-sulfanylidene-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)heptadecane-1-sulfonate Openeye Name: 1-(2-thioxo-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)heptadecane-1-sulfonate CAS Name: 1-(2-sulfanylidene-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-1-heptadecanesulfonate IUPAC Name: 1-(2-sulfanylidene-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)heptadecane-1-sulfonate Traditional Name: 1-(2-thioxo-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)heptadecane-1-sulfonate Formula: C26H39N4O3S2- MolecularWeight: 519.74286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C3=NC(=S)NN31)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C3=NC(=S)NN31)S(=O)(=O)[O-]

InChI

InChI=1S/C26H40N4O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23(35(31,32)33)25-27-22-19-17-16-18-21(22)24-28-26(34)29-30(24)25/h16-19,23H,2-15,20H2,1H3,(H,29,34)(H,31,32,33)/p-1