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

Systemtic Name: (3,4-diethoxyphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Openeye Name: (3,4-diethoxyphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone CAS Name: (3,4-diethoxyphenyl)-[2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone IUPAC Name: (3,4-diethoxyphenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Traditional Name: (3,4-diethoxyphenyl)-[2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]methanone Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H23N3O5S/c1-3-28-18-9-8-16(13-19(18)29-4-2)20(25)23-11-10-22-21(23)30-14-15-6-5-7-17(12-15)24(26)27/h5-9,12-13H,3-4,10-11,14H2,1-2H3