[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 6-fluoranylpyridine-2-carboxylate

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 6-fluoranylpyridine-2-carboxylate Openeye Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 6-fluoropyridine-2-carboxylate CAS Name: 6-fluoro-2-pyridinecarboxylic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-ynyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-ynylimidazolidin-3-ium-4-yl] 6-fluoropyridine-2-carboxylate Traditional Name: 6-fluoropicolinic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-propargyl-imidazolidin-3-ium-4-yl] ester Formula: C17H16FN5O3S MolecularWeight: 389.404043

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC([N+](C1)(C2=NN=C(S2)C3CC3)[O-])OC(=O)C4=NC(=CC=C4)F

Isomeric SMILES

C#CCN1CC([N+](C1)(C2=NN=C(S2)C3CC3)[O-])OC(=O)C4=NC(=CC=C4)F

InChI

InChI=1S/C17H16FN5O3S/c1-2-8-22-9-14(26-16(24)12-4-3-5-13(18)19-12)23(25,10-22)17-21-20-15(27-17)11-6-7-11/h1,3-5,11,14H,6-10H2