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

Systemtic Name: (4-ethylpiperazin-1-yl)-[4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]methanone Openeye Name: (4-ethylpiperazin-1-yl)-[4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]methanone CAS Name: (4-ethyl-1-piperazinyl)-[4-[(2-fluorophenyl)methylthio]-3-nitrophenyl]methanone IUPAC Name: (4-ethylpiperazin-1-yl)-[4-[(2-fluorophenyl)methylsulfanyl]-3-nitrophenyl]methanone Traditional Name: (4-ethylpiperazino)-[4-[(2-fluorobenzyl)thio]-3-nitro-phenyl]methanone Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O3S/c1-2-22-9-11-23(12-10-22)20(25)15-7-8-19(18(13-15)24(26)27)28-14-16-5-3-4-6-17(16)21/h3-8,13H,2,9-12,14H2,1H3