3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one

Systemtic Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one Openeye Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one CAS Name: 3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1-benzothiopyran-4-one IUPAC Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one Traditional Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazino]thiochromen-4-one Formula: C20H17F3N2OS MolecularWeight: 390.42199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=CSC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=CSC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17F3N2OS/c21-20(22,23)14-4-3-5-15(12-14)24-8-10-25(11-9-24)17-13-27-18-7-2-1-6-16(18)19(17)26/h1-7,12-13H,8-11H2