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

Systemtic Name: 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[2-[(2,5-dimethylphenyl)methylthio]-4,5-dihydroimidazol-1-yl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[2-[(2,5-dimethylbenzyl)thio]-2-imidazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NCCN2C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NCCN2C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-14-3-4-15(2)17(11-14)13-27-20-21-9-10-22(20)19(24)12-16-5-7-18(8-6-16)23(25)26/h3-8,11H,9-10,12-13H2,1-2H3