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

Systemtic Name: [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [2-[(2,5-dimethylphenyl)methylthio]-4,5-dihydroimidazol-1-yl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [2-[(2,5-dimethylbenzyl)thio]-2-imidazolin-1-yl]-(2-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=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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