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

Systemtic Name: [1-(chloromethyl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] benzoate Openeye Name: [1-(chloromethyl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [1-(chloromethyl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H15ClN4O4S2 MolecularWeight: 402.8763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4O4S2/c1-25(22)14-17-16-13(24-14)19(21)9-18(8-15)7-11(19)23-12(20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3