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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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