1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]ethanone IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanone Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]ethanone Formula: C18H16F3N3O5S MolecularWeight: 443.39695

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC=CO3

InChI

InChI=1S/C18H16F3N3O5S/c19-18(20,21)12-3-4-15(13(10-12)24(27)28)30-11-16(25)22-5-7-23(8-6-22)17(26)14-2-1-9-29-14/h1-4,9-10H,5-8,11H2