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

Systemtic Name: 1-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitro-imidazole Openeye Name: 1-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitro-imidazole CAS Name: 1-methyl-2-[[4-(methylthio)phenoxy]methyl]-5-nitroimidazole IUPAC Name: 1-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitroimidazole Traditional Name: 1-methyl-2-[[4-(methylthio)phenoxy]methyl]-5-nitro-imidazole Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c1-14-11(13-7-12(14)15(16)17)8-18-9-3-5-10(19-2)6-4-9/h3-7H,8H2,1-2H3