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

Systemtic Name: 1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[2-[(4-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-2-phenylethanone IUPAC Name: 1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenylethanone Traditional Name: 1-[2-[(4-nitrobenzyl)thio]-2-imidazolin-1-yl]-2-phenyl-ethanone Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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