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

Systemtic Name: 1-(3-chlorophenyl)-4-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl]piperazine Openeye Name: 1-(3-chlorophenyl)-4-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methyl]piperazine CAS Name: 1-(3-chlorophenyl)-4-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methyl]piperazine IUPAC Name: 1-(3-chlorophenyl)-4-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl]piperazine Traditional Name: 1-(3-chlorophenyl)-4-[3-nitro-4-(p-tolylthio)benzyl]piperazine Formula: C24H24ClN3O2S MolecularWeight: 453.98426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H24ClN3O2S/c1-18-5-8-22(9-6-18)31-24-10-7-19(15-23(24)28(29)30)17-26-11-13-27(14-12-26)21-4-2-3-20(25)16-21/h2-10,15-16H,11-14,17H2,1H3