1-methyl-5-(4-methylphenyl)sulfanyl-4-nitro-imidazole

Systemtic Name: 1-methyl-5-(4-methylphenyl)sulfanyl-4-nitro-imidazole Openeye Name: 1-methyl-4-nitro-5-(p-tolylsulfanyl)imidazole CAS Name: 1-methyl-5-[(4-methylphenyl)thio]-4-nitroimidazole IUPAC Name: 1-methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole Traditional Name: 1-methyl-4-nitro-5-(p-tolylthio)imidazole Formula: C11H11N3O2S MolecularWeight: 249.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c1-8-3-5-9(6-4-8)17-11-10(14(15)16)12-7-13(11)2/h3-7H,1-2H3