5-(1,2-dithiolan-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]pentan-1-one

Systemtic Name: 5-(1,2-dithiolan-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]pentan-1-one Openeye Name: 5-(dithiolan-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]pentan-1-one CAS Name: 5-(3-dithiolanyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-pentanone IUPAC Name: 5-(dithiolan-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]pentan-1-one Traditional Name: 5-(dithiolan-3-yl)-1-[4-(4-nitrophenyl)piperazino]pentan-1-one Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSSC1CCCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O3S2/c22-18(4-2-1-3-17-9-14-25-26-17)20-12-10-19(11-13-20)15-5-7-16(8-6-15)21(23)24/h5-8,17H,1-4,9-14H2