2-(4-nitrophenyl)-1-[2-(phenylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone

Systemtic Name: 2-(4-nitrophenyl)-1-[2-(phenylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone Openeye Name: 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-nitrophenyl)ethanone CAS Name: 2-(4-nitrophenyl)-1-[2-(phenylmethylthio)-4,5-dihydroimidazol-1-yl]ethanone IUPAC Name: 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-nitrophenyl)ethanone Traditional Name: 1-[2-(benzylthio)-2-imidazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c22-17(12-14-6-8-16(9-7-14)21(23)24)20-11-10-19-18(20)25-13-15-4-2-1-3-5-15/h1-9H,10-13H2