1,2-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-imidazole

Systemtic Name: 1,2-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-imidazole Openeye Name: 1,2-dimethyl-5-nitro-4-(p-tolylsulfonylmethyl)imidazole CAS Name: 1,2-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitroimidazole IUPAC Name: 1,2-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitroimidazole Traditional Name: 1,2-dimethyl-5-nitro-4-(tosylmethyl)imidazole Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S/c1-9-4-6-11(7-5-9)21(19,20)8-12-13(16(17)18)15(3)10(2)14-12/h4-7H,8H2,1-3H3