bromanylcyclopropane; [3-[5-(bromomethyl)-1,3,4-thiadiazol-2-yl]-3-oxidanidyl-imidazolidin-3-ium-4-yl] cyclopropanecarboxylate

Systemtic Name: bromanylcyclopropane; [3-[5-(bromomethyl)-1,3,4-thiadiazol-2-yl]-3-oxidanidyl-imidazolidin-3-ium-4-yl] cyclopropanecarboxylate Openeye Name: bromocyclopropane; [3-[5-(bromomethyl)-1,3,4-thiadiazol-2-yl]-3-oxido-imidazolidin-3-ium-4-yl] cyclopropanecarboxylate CAS Name: bromocyclopropane; cyclopropanecarboxylic acid [3-[5-(bromomethyl)-1,3,4-thiadiazol-2-yl]-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: bromocyclopropane; [3-[5-(bromomethyl)-1,3,4-thiadiazol-2-yl]-3-oxidoimidazolidin-3-ium-4-yl] cyclopropanecarboxylate Traditional Name: bromocyclopropane; cyclopropanecarboxylic acid [3-[5-(bromomethyl)-1,3,4-thiadiazol-2-yl]-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C13H18Br2N4O3S MolecularWeight: 470.18002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)OC2CNC[N+]2(C3=NN=C(S3)CBr)[O-].C1CC1Br

Isomeric SMILES

C1CC1C(=O)OC2CNC[N+]2(C3=NN=C(S3)CBr)[O-].C1CC1Br

InChI

InChI=1S/C10H13BrN4O3S.C3H5Br/c11-3-7-13-14-10(19-7)15(17)5-12-4-8(15)18-9(16)6-1-2-6;4-3-1-2-3/h6,8,12H,1-5H2;3H,1-2H2