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

Systemtic Name: 2-(2-chlorophenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-chlorophenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-chlorophenyl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-chlorophenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2-chlorophenyl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=C3Cl

InChI

InChI=1S/C18H18ClN3O3S/c19-16-3-1-2-4-17(16)26-13-18(23)21-11-9-20(10-12-21)14-5-7-15(8-6-14)22(24)25/h1-8H,9-13H2