4-ethyl-5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazole

Systemtic Name: 4-ethyl-5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazole Openeye Name: 4-ethyl-5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazole CAS Name: 4-ethyl-5-methyl-2-[(4-nitrophenyl)methylthio]-1H-imidazole IUPAC Name: 4-ethyl-5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazole Traditional Name: 4-ethyl-5-methyl-2-[(4-nitrobenzyl)thio]-1H-imidazole Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(NC(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H15N3O2S/c1-3-12-9(2)14-13(15-12)19-8-10-4-6-11(7-5-10)16(17)18/h4-7H,3,8H2,1-2H3,(H,14,15)