1-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-imidazole

Systemtic Name: 1-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-imidazole Openeye Name: 1-methyl-5-nitro-4-(p-tolylsulfonylmethyl)imidazole CAS Name: 1-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitroimidazole IUPAC Name: 1-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitroimidazole Traditional Name: 1-methyl-5-nitro-4-(tosylmethyl)imidazole Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N(C=N2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N(C=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c1-9-3-5-10(6-4-9)20(18,19)7-11-12(15(16)17)14(2)8-13-11/h3-6,8H,7H2,1-2H3