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

Systemtic Name: 2-[(3-chloranyl-4-methylsulfinyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole Openeye Name: 2-[(3-chloro-4-methylsulfinyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole CAS Name: 2-[(3-chloro-4-methylsulfinylphenoxy)methyl]-1-methyl-5-nitroimidazole IUPAC Name: 2-[(3-chloro-4-methylsulfinylphenoxy)methyl]-1-methyl-5-nitroimidazole Traditional Name: 2-[(3-chloro-4-methylsulfinyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole Formula: C12H12ClN3O4S MolecularWeight: 329.75938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O4S/c1-15-11(14-6-12(15)16(17)18)7-20-8-3-4-10(21(2)19)9(13)5-8/h3-6H,7H2,1-2H3