[3-but-1-ynyl-5-oxidanylidene-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] hex-4-ynoate

Systemtic Name: [3-but-1-ynyl-5-oxidanylidene-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] hex-4-ynoate Openeye Name: [3-but-1-ynyl-5-oxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] hex-4-ynoate CAS Name: 4-hexynoic acid [3-but-1-ynyl-5-oxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidinyl] ester IUPAC Name: [3-but-1-ynyl-5-oxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] hex-4-ynoate Traditional Name: hex-4-ynoic acid [3-but-1-ynyl-5-keto-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] ester Formula: C16H15F3N4O3S MolecularWeight: 400.37551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CN1CN(C(=O)C1OC(=O)CCC#CC)C2=NN=C(S2)C(F)(F)F

Isomeric SMILES

CCC#CN1CN(C(=O)C1OC(=O)CCC#CC)C2=NN=C(S2)C(F)(F)F

InChI

InChI=1S/C16H15F3N4O3S/c1-3-5-7-8-11(24)26-13-12(25)23(10-22(13)9-6-4-2)15-21-20-14(27-15)16(17,18)19/h13H,4,7-8,10H2,1-2H3