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

Systemtic Name: 2-[(3-chloranyl-4-methylsulfanyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole Openeye Name: 2-[(3-chloro-4-methylsulfanyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole CAS Name: 2-[[3-chloro-4-(methylthio)phenoxy]methyl]-1-methyl-5-nitroimidazole IUPAC Name: 2-[(3-chloro-4-methylsulfanylphenoxy)methyl]-1-methyl-5-nitroimidazole Traditional Name: 2-[[3-chloro-4-(methylthio)phenoxy]methyl]-1-methyl-5-nitro-imidazole Formula: C12H12ClN3O3S MolecularWeight: 313.75998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O3S/c1-15-11(14-6-12(15)16(17)18)7-19-8-3-4-10(20-2)9(13)5-8/h3-6H,7H2,1-2H3