[3-(chloromethyl)-1-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-4-yl] 5-bromanylpyridine-2-carboxylate

Systemtic Name: [3-(chloromethyl)-1-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-4-yl] 5-bromanylpyridine-2-carboxylate Openeye Name: [3-(chloromethyl)-1-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-1-oxido-imidazolidin-1-ium-4-yl] 5-bromopyridine-2-carboxylate CAS Name: 5-bromo-2-pyridinecarboxylic acid [3-(chloromethyl)-1-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-1-oxido-4-imidazolidin-1-iumyl] ester IUPAC Name: [3-(chloromethyl)-1-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-1-oxidoimidazolidin-1-ium-4-yl] 5-bromopyridine-2-carboxylate Traditional Name: 5-bromopicolinic acid [3-(chloromethyl)-1-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-1-oxido-imidazolidin-1-ium-4-yl] ester Formula: C13H13BrClN5O4S2 MolecularWeight: 482.76042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=NN=C(S1)[N+]2(CC(N(C2)CCl)OC(=O)C3=NC=C(C=C3)Br)[O-]

Isomeric SMILES

CS(=O)C1=NN=C(S1)[N+]2(CC(N(C2)CCl)OC(=O)C3=NC=C(C=C3)Br)[O-]

InChI

InChI=1S/C13H13BrClN5O4S2/c1-26(23)13-18-17-12(25-13)20(22)5-10(19(6-15)7-20)24-11(21)9-3-2-8(14)4-16-9/h2-4,10H,5-7H2,1H3