1-[(4-methylsulfanylphenyl)methyl]-4-nitro-imidazole

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-nitro-imidazole Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-nitro-imidazole CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-nitroimidazole IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-nitroimidazole Traditional Name: 1-[4-(methylthio)benzyl]-4-nitro-imidazole Formula: C11H11N3O2S MolecularWeight: 249.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-]

InChI

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