1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-2-(2-thienyl)ethanone Formula: C17H16F3N3O3S MolecularWeight: 399.38745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CC3=CC=CS3

InChI

InChI=1S/C17H16F3N3O3S/c18-17(19,20)12-3-4-14(15(10-12)23(25)26)21-5-7-22(8-6-21)16(24)11-13-2-1-9-27-13/h1-4,9-10H,5-8,11H2