[3-(5-iodanyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [3-(5-iodanyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [3-(5-iodothiazol-2-yl)-3-oxido-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [3-(5-iodo-2-thiazolyl)-3-oxido-1-prop-2-ynyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-iodo-1,3-thiazol-2-yl)-3-oxido-1-prop-2-ynylimidazolidin-3-ium-4-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [3-(5-iodothiazol-2-yl)-3-oxido-1-propargyl-imidazolidin-3-ium-4-yl] ester Formula: C15H12ClIN4O3S MolecularWeight: 490.70325

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC([N+](C1)(C2=NC=C(S2)I)[O-])OC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

C#CCN1CC([N+](C1)(C2=NC=C(S2)I)[O-])OC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C15H12ClIN4O3S/c1-2-6-20-8-12(21(23,9-20)15-19-7-11(17)25-15)24-14(22)10-4-3-5-18-13(10)16/h1,3-5,7,12H,6,8-9H2