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

Systemtic Name: 1-(3-chlorophenyl)-4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]piperazine Openeye Name: 1-(3-chlorophenyl)-4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]piperazine CAS Name: 1-(3-chlorophenyl)-4-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methyl]piperazine IUPAC Name: 1-(3-chlorophenyl)-4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]piperazine Traditional Name: 1-(3-chlorophenyl)-4-[4-[(4-chlorophenyl)thio]-3-nitro-benzyl]piperazine Formula: C23H21Cl2N3O2S MolecularWeight: 474.40274

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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=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H21Cl2N3O2S/c24-18-5-7-21(8-6-18)31-23-9-4-17(14-22(23)28(29)30)16-26-10-12-27(13-11-26)20-3-1-2-19(25)15-20/h1-9,14-15H,10-13,16H2