2-(4-nitrophenyl)sulfanyl-1-piperazin-1-yl-ethanone

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-piperazin-1-yl-ethanone Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-piperazin-1-yl-ethanone CAS Name: 2-[(4-nitrophenyl)thio]-1-(1-piperazinyl)ethanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-piperazin-1-ylethanone Traditional Name: 2-[(4-nitrophenyl)thio]-1-piperazino-ethanone Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O3S/c16-12(14-7-5-13-6-8-14)9-19-11-3-1-10(2-4-11)15(17)18/h1-4,13H,5-9H2