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

Systemtic Name: (4-butoxyphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone CAS Name: (4-butoxyphenyl)-[2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone IUPAC Name: (4-butoxyphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]methanone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-2-3-13-28-19-9-7-17(8-10-19)20(25)23-12-11-22-21(23)29-15-16-5-4-6-18(14-16)24(26)27/h4-10,14H,2-3,11-13,15H2,1H3