[3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-yl] pyridine-2-carboxylate

Systemtic Name: [3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-yl] pyridine-2-carboxylate Openeye Name: [3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-yl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [3-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-3-oxido-1-propyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-propylimidazolidin-3-ium-4-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [3-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-3-oxido-1-propyl-imidazolidin-3-ium-4-yl] ester Formula: C15H19N5O3S2 MolecularWeight: 381.47306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC([N+](C1)(C2=NN=C(S2)SC)[O-])OC(=O)C3=CC=CC=N3

Isomeric SMILES

CCCN1CC([N+](C1)(C2=NN=C(S2)SC)[O-])OC(=O)C3=CC=CC=N3

InChI

InChI=1S/C15H19N5O3S2/c1-3-8-19-9-12(23-13(21)11-6-4-5-7-16-11)20(22,10-19)14-17-18-15(24-2)25-14/h4-7,12H,3,8-10H2,1-2H3