1-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]-4-(2-fluorophenyl)piperazine

Systemtic Name: 1-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]-4-(2-fluorophenyl)piperazine Openeye Name: 1-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]-4-(2-fluorophenyl)piperazine CAS Name: 1-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methyl]-4-(2-fluorophenyl)piperazine IUPAC Name: 1-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]-4-(2-fluorophenyl)piperazine Traditional Name: 1-[4-[(4-chlorophenyl)thio]-3-nitro-benzyl]-4-(2-fluorophenyl)piperazine Formula: C23H21ClFN3O2S MolecularWeight: 457.948143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C23H21ClFN3O2S/c24-18-6-8-19(9-7-18)31-23-10-5-17(15-22(23)28(29)30)16-26-11-13-27(14-12-26)21-4-2-1-3-20(21)25/h1-10,15H,11-14,16H2