ethyl 2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carboxylate

Systemtic Name: ethyl 2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carboxylate Openeye Name: ethyl 2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carboxylate CAS Name: 2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carboxylate Traditional Name: 2-[(3-nitrobenzyl)thio]-2-imidazoline-1-carboxylic acid ethyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN=C1SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN=C1SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-2-20-13(17)15-7-6-14-12(15)21-9-10-4-3-5-11(8-10)16(18)19/h3-5,8H,2,6-7,9H2,1H3