[1-methyl-3-oxidanidyl-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 3,4-bis(bromanyl)benzoate

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 3,4-bis(bromanyl)benzoate Openeye Name: [1-methyl-3-oxido-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 3,4-dibromobenzoate CAS Name: 3,4-dibromobenzoic acid [1-methyl-3-oxido-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 3,4-dibromobenzoate Traditional Name: 3,4-dibromobenzoic acid [1-methyl-3-oxido-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C16H18Br2N4O4S2 MolecularWeight: 554.27652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18Br2N4O4S2/c1-3-6-28(25)16-20-19-15(27-16)22(24)9-21(2)8-13(22)26-14(23)10-4-5-11(17)12(18)7-10/h4-5,7,13H,3,6,8-9H2,1-2H3