5-(4-tert-butylphenyl)sulfanyl-1-methyl-4-nitro-imidazole

Systemtic Name: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-4-nitro-imidazole Openeye Name: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-4-nitro-imidazole CAS Name: 5-[(4-tert-butylphenyl)thio]-1-methyl-4-nitroimidazole IUPAC Name: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-4-nitroimidazole Traditional Name: 5-[(4-tert-butylphenyl)thio]-1-methyl-4-nitro-imidazole Formula: C14H17N3O2S MolecularWeight: 291.36868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-14(2,3)10-5-7-11(8-6-10)20-13-12(17(18)19)15-9-16(13)4/h5-9H,1-4H3