1-methyl-2-[(4-methylsulfinylphenoxy)methyl]-5-nitro-imidazole

Systemtic Name: 1-methyl-2-[(4-methylsulfinylphenoxy)methyl]-5-nitro-imidazole Openeye Name: 1-methyl-2-[(4-methylsulfinylphenoxy)methyl]-5-nitro-imidazole CAS Name: 1-methyl-2-[(4-methylsulfinylphenoxy)methyl]-5-nitroimidazole IUPAC Name: 1-methyl-2-[(4-methylsulfinylphenoxy)methyl]-5-nitroimidazole Traditional Name: 1-methyl-2-[(4-methylsulfinylphenoxy)methyl]-5-nitro-imidazole Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC2=CC=C(C=C2)S(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1COC2=CC=C(C=C2)S(=O)C)[N+](=O)[O-]

InChI

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