1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[4-(2-nitrophenyl)-1-piperazinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-[4-(2-nitrophenyl)piperazino]-2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethanone Formula: C18H17F3N4O3S MolecularWeight: 426.41279

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N4O3S/c19-18(20,21)13-5-6-16(22-11-13)29-12-17(26)24-9-7-23(8-10-24)14-3-1-2-4-15(14)25(27)28/h1-6,11H,7-10,12H2