(4,5-dimethylthiophen-2-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (4,5-dimethylthiophen-2-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (4,5-dimethyl-2-thienyl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (4,5-dimethyl-2-thiophenyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (4,5-dimethylthiophen-2-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (4,5-dimethyl-2-thienyl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N4O3S/c1-11-9-14(24-12(11)2)16(21)19-7-5-18(6-8-19)13-3-4-15(17-10-13)20(22)23/h3-4,9-10H,5-8H2,1-2H3