5-[(4-nitrophenyl)methylsulfanylmethyl]-1H-imidazole

Systemtic Name: 5-[(4-nitrophenyl)methylsulfanylmethyl]-1H-imidazole Openeye Name: 5-[(4-nitrophenyl)methylsulfanylmethyl]-1H-imidazole CAS Name: 5-[[(4-nitrophenyl)methylthio]methyl]-1H-imidazole IUPAC Name: 5-[(4-nitrophenyl)methylsulfanylmethyl]-1H-imidazole Traditional Name: 5-[[(4-nitrobenzyl)thio]methyl]-1H-imidazole Formula: C11H11N3O2S MolecularWeight: 249.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=CN=CN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC2=CN=CN2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c15-14(16)11-3-1-9(2-4-11)6-17-7-10-5-12-8-13-10/h1-5,8H,6-7H2,(H,12,13)