2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]-1-piperidino-ethanone Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3S/c21-15(19-8-2-1-3-9-19)11-24-16-17-10-14(18-16)12-4-6-13(7-5-12)20(22)23/h4-7,10H,1-3,8-9,11H2,(H,17,18)