5-methyl-4-[(4-nitrophenyl)sulfanylmethyl]-1H-imidazole

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CN1)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c1-8-11(13-7-12-8)6-17-10-4-2-9(3-5-10)14(15)16/h2-5,7H,6H2,1H3,(H,12,13)