[2-(4-phenylbut-1-ynyl)-1,3-thiazol-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(4-phenylbut-1-ynyl)-1,3-thiazol-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-(4-phenylbut-1-ynyl)thiazol-4-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(4-phenylbut-1-ynyl)-4-thiazolyl] ester IUPAC Name: [2-(4-phenylbut-1-ynyl)-1,3-thiazol-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-(4-phenylbut-1-ynyl)thiazol-4-yl] ester Formula: C14H10F3NO3S2 MolecularWeight: 361.35931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC#CC2=NC(=CS2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCC#CC2=NC(=CS2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H10F3NO3S2/c15-14(16,17)23(19,20)21-12-10-22-13(18-12)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4,8H2