[1-methyl-3-oxidanidyl-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-bromanylthiophene-2-carboxylate

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-bromanylthiophene-2-carboxylate Openeye Name: [3-(5-allyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-bromothiophene-2-carboxylate CAS Name: 4-bromo-2-thiophenecarboxylic acid [1-methyl-3-oxido-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-bromothiophene-2-carboxylate Traditional Name: 4-bromothiophene-2-carboxylic acid [3-(5-allyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H15BrN4O3S2 MolecularWeight: 431.3279

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NN=C(S2)CC=C)[O-])OC(=O)C3=CC(=CS3)Br

Isomeric SMILES

CN1CC([N+](C1)(C2=NN=C(S2)CC=C)[O-])OC(=O)C3=CC(=CS3)Br

InChI

InChI=1S/C14H15BrN4O3S2/c1-3-4-11-16-17-14(24-11)19(21)8-18(2)6-12(19)22-13(20)10-5-9(15)7-23-10/h3,5,7,12H,1,4,6,8H2,2H3