[3-oxidanidyl-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 3-cyanobenzoate

Systemtic Name: [3-oxidanidyl-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 3-cyanobenzoate Openeye Name: [3-oxido-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [3-oxido-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [3-oxido-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C17H16F3N5O3S MolecularWeight: 427.40085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N5O3S/c1-2-6-24-9-13(28-14(26)12-5-3-4-11(7-12)8-21)25(27,10-24)16-23-22-15(29-16)17(18,19)20/h3-5,7,13H,2,6,9-10H2,1H3