1-(2,2-diethoxyethoxy)-4-methylsulfanyl-benzene; 1-methyl-2-[(4-methylsulfonylphenoxy)methyl]-5-nitro-imidazole

Systemtic Name: 1-(2,2-diethoxyethoxy)-4-methylsulfanyl-benzene; 1-methyl-2-[(4-methylsulfonylphenoxy)methyl]-5-nitro-imidazole Openeye Name: 1-(2,2-diethoxyethoxy)-4-methylsulfanyl-benzene; 1-methyl-2-[(4-methylsulfonylphenoxy)methyl]-5-nitro-imidazole CAS Name: 1-(2,2-diethoxyethoxy)-4-(methylthio)benzene; 1-methyl-2-[(4-methylsulfonylphenoxy)methyl]-5-nitroimidazole IUPAC Name: 1-(2,2-diethoxyethoxy)-4-methylsulfanylbenzene; 1-methyl-2-[(4-methylsulfonylphenoxy)methyl]-5-nitroimidazole Traditional Name: 1-(2,2-diethoxyethoxy)-4-(methylthio)benzene; 2-[(4-mesylphenoxy)methyl]-1-methyl-5-nitro-imidazole Formula: C25H33N3O8S2 MolecularWeight: 567.67482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(COC1=CC=C(C=C1)SC)OCC.CN1C(=CN=C1COC2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(COC1=CC=C(C=C1)SC)OCC.CN1C(=CN=C1COC2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20O3S.C12H13N3O5S/c1-4-14-13(15-5-2)10-16-11-6-8-12(17-3)9-7-11;1-14-11(13-7-12(14)15(16)17)8-20-9-3-5-10(6-4-9)21(2,18)19/h6-9,13H,4-5,10H2,1-3H3;3-7H,8H2,1-2H3