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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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