(4-tert-butylphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone IUPAC Name: (4-tert-butylphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]methanone Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3S/c1-21(2,3)17-9-7-16(8-10-17)19(25)23-12-11-22-20(23)28-14-15-5-4-6-18(13-15)24(26)27/h4-10,13H,11-12,14H2,1-3H3