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

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-(phenylthio)ethanone Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3S/c22-18(14-25-17-4-2-1-3-5-17)20-12-10-19(11-13-20)15-6-8-16(9-7-15)21(23)24/h1-9H,10-14H2