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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=NC=CC(=C3)Br)CCl)[O-]

Isomeric SMILES

CS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=NC=CC(=C3)Br)CCl)[O-]

InChI

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