[4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [4-[(2-fluorophenyl)methylthio]-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [4-[(2-fluorophenyl)methylsulfanyl]-3-nitrophenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(2-fluorobenzyl)thio]-3-nitro-phenyl]-[4-(2-pyridyl)piperazino]methanone Formula: C23H21FN4O3S MolecularWeight: 452.501243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)SCC4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)SCC4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C23H21FN4O3S/c24-19-6-2-1-5-18(19)16-32-21-9-8-17(15-20(21)28(30)31)23(29)27-13-11-26(12-14-27)22-7-3-4-10-25-22/h1-10,15H,11-14,16H2