1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-nitrophenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-nitrophenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-nitrophenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[(4-nitrophenyl)methylthio]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-[(4-nitrobenzyl)thio]ethanone Formula: C19H20ClN3O3S MolecularWeight: 405.8984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O3S/c20-16-2-1-3-18(12-16)21-8-10-22(11-9-21)19(24)14-27-13-15-4-6-17(7-5-15)23(25)26/h1-7,12H,8-11,13-14H2