[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-[2-(phenylthio)-3-pyridyl]methanone Formula: C23H19F3N4O3S MolecularWeight: 488.48217

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)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H19F3N4O3S/c24-23(25,26)16-8-9-19(20(15-16)30(32)33)28-11-13-29(14-12-28)22(31)18-7-4-10-27-21(18)34-17-5-2-1-3-6-17/h1-10,15H,11-14H2