2-(2-nitrothiophen-3-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-(2-nitrothiophen-3-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 2-[(2-nitro-3-thienyl)sulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 2-[(2-nitro-3-thiophenyl)thio]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-nitrothiophen-3-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(2-nitro-3-thienyl)thio]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=N2)SC3=C(SC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=N2)SC3=C(SC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3S2/c1-12(25-13-5-11-24-16(13)20(22)23)15(21)19-9-7-18(8-10-19)14-4-2-3-6-17-14/h2-6,11-12H,7-10H2,1H3