1-(4-methylphenyl)-2-[2-prop-2-ynylimino-6-(trifluoromethyloxy)-1,3-benzothiazol-3-yl]ethanone

Systemtic Name: 1-(4-methylphenyl)-2-[2-prop-2-ynylimino-6-(trifluoromethyloxy)-1,3-benzothiazol-3-yl]ethanone Openeye Name: 2-[2-prop-2-ynylimino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[2-prop-2-ynylimino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[2-prop-2-ynylimino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanone Traditional Name: 2-[2-propargylimino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-1-(p-tolyl)ethanone Formula: C20H15F3N2O2S MolecularWeight: 404.40551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=NCC#C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=NCC#C

InChI

InChI=1S/C20H15F3N2O2S/c1-3-10-24-19-25(12-17(26)14-6-4-13(2)5-7-14)16-9-8-15(11-18(16)28-19)27-20(21,22)23/h1,4-9,11H,10,12H2,2H3