2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3-chloro-4-fluoro-phenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(3-chloro-4-fluorophenyl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-chloro-4-fluorophenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C18H17ClFN3O3S MolecularWeight: 409.862283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFN3O3S/c19-16-11-15(5-6-17(16)20)27-12-18(24)22-9-7-21(8-10-22)13-1-3-14(4-2-13)23(25)26/h1-6,11H,7-10,12H2