1-methyl-2-[(3-methyl-4-methylsulfonyl-phenoxy)methyl]-5-nitro-imidazole

Systemtic Name: 1-methyl-2-[(3-methyl-4-methylsulfonyl-phenoxy)methyl]-5-nitro-imidazole Openeye Name: 1-methyl-2-[(3-methyl-4-methylsulfonyl-phenoxy)methyl]-5-nitro-imidazole CAS Name: 1-methyl-2-[(3-methyl-4-methylsulfonylphenoxy)methyl]-5-nitroimidazole IUPAC Name: 1-methyl-2-[(3-methyl-4-methylsulfonylphenoxy)methyl]-5-nitroimidazole Traditional Name: 2-[(4-mesyl-3-methyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC=C(N2C)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC=C(N2C)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C13H15N3O5S/c1-9-6-10(4-5-11(9)22(3,19)20)21-8-12-14-7-13(15(12)2)16(17)18/h4-7H,8H2,1-3H3