2-(4-nitrophenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone

Systemtic Name: 2-(4-nitrophenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone Openeye Name: 2-(4-nitrophenyl)-1-[2-(3-pyridylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone CAS Name: 2-(4-nitrophenyl)-1-[2-(3-pyridinylmethylthio)-4,5-dihydroimidazol-1-yl]ethanone IUPAC Name: 2-(4-nitrophenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone Traditional Name: 2-(4-nitrophenyl)-1-[2-(3-pyridylmethylthio)-2-imidazolin-1-yl]ethanone Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)SCC2=CN=CC=C2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=N1)SCC2=CN=CC=C2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c22-16(10-13-3-5-15(6-4-13)21(23)24)20-9-8-19-17(20)25-12-14-2-1-7-18-11-14/h1-7,11H,8-10,12H2