[4-(1,3-dithiolan-2-yl)phenyl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C19H20N4O3S2/c24-18(14-1-3-15(4-2-14)19-27-11-12-28-19)22-9-7-21(8-10-22)16-5-6-17(20-13-16)23(25)26/h1-6,13,19H,7-12H2