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

Systemtic Name: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c1-27-16-10-14(11-17(28-2)18(16)29-3)19(24)22-8-7-21-20(22)30-12-13-5-4-6-15(9-13)23(25)26/h4-6,9-11H,7-8,12H2,1-3H3