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

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C19H21N3O3S MolecularWeight: 371.45334

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c23-19(15-26-14-16-4-2-1-3-5-16)21-12-10-20(11-13-21)17-6-8-18(9-7-17)22(24)25/h1-9H,10-15H2