[1-(2-oxidanylidenepropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] benzoate

Systemtic Name: [1-(2-oxidanylidenepropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] benzoate Openeye Name: [1-acetonyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] benzoate CAS Name: benzoic acid [1-(2-oxopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidinyl] ester IUPAC Name: [1-(2-oxopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] benzoate Traditional Name: benzoic acid [1-acetonyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] ester Formula: C16H15F3N4O3S MolecularWeight: 400.37551

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1CC(N(C1)C2=NN=C(S2)C(F)(F)F)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CN1CC(N(C1)C2=NN=C(S2)C(F)(F)F)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H15F3N4O3S/c1-10(24)7-22-8-12(26-13(25)11-5-3-2-4-6-11)23(9-22)15-21-20-14(27-15)16(17,18)19/h2-6,12H,7-9H2,1H3