[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [2-[(2,5-dimethylphenyl)methylthio]-4,5-dihydroimidazol-1-yl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [2-[(2,5-dimethylbenzyl)thio]-2-imidazolin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-13-4-5-14(2)17(10-13)12-27-20-21-8-9-22(20)19(24)16-7-6-15(3)18(11-16)23(25)26/h4-7,10-11H,8-9,12H2,1-3H3